# 1 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" 1 !--------------------------------------------------------------------------------------------------! ! Copyright (C) by the DBCSR developers group - All rights reserved ! ! This file is part of the DBCSR library. ! ! ! ! For information on the license, see the LICENSE file. ! ! For further information please visit https://dbcsr.cp2k.org ! ! SPDX-License-Identifier: GPL-2.0+ ! !--------------------------------------------------------------------------------------------------! MODULE dbcsr_mpiwrap !! Interface to the message passing library MPI USE ISO_C_BINDING, ONLY: C_F_POINTER, & C_PTR USE dbcsr_kinds, ONLY: & dp, int_4, int_4_size, int_8, int_8_size, real_4, real_4_size, real_8, & real_8_size USE dbcsr_machine, ONLY: m_abort, m_hostnm #include "base/dbcsr_base_uses.f90" # 1 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.fypp" 1 # 9 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.fypp" # 31 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.fypp" # 21 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" 2 #if defined(__parallel) && defined(__USE_MPI_F08) USE mpi_f08, ONLY: mpi_datatype, mpi_comm, mpi_request, mpi_win, mpi_file, mpi_info, mpi_status, mpi_group, MPI_ANY_TAG, & MPI_ANY_SOURCE, MPI_COMM_NULL, MPI_COMM_SELF, MPI_COMM_WORLD, MPI_REQUEST_NULL, MPI_WIN_NULL, & MPI_FILE_NULL, MPI_INFO_NULL, MPI_DATATYPE_NULL, MPI_STATUS_SIZE, MPI_PROC_NULL, & MPI_MAX_LIBRARY_VERSION_STRING, MPI_OFFSET_KIND, MPI_ADDRESS_KIND, MPI_MODE_CREATE, & MPI_MODE_RDONLY, MPI_MODE_WRONLY, MPI_MODE_RDWR, MPI_MODE_EXCL, MPI_MODE_APPEND, & MPI_MAX_ERROR_STRING, MPI_IDENT, MPI_CONGRUENT, MPI_SIMILAR, MPI_UNEQUAL, MPI_COMPLEX, MPI_DOUBLE_COMPLEX, & MPI_INTEGER, MPI_LOGICAL, MPI_DOUBLE_PRECISION, MPI_STATUS_IGNORE, MPI_TYPE_SIZE, MPI_FILE_READ_AT_ALL, & MPI_FILE_READ_AT, mpi_type_indexed, mpi_irecv, mpi_recv, mpi_isend, mpi_send, mpi_sendrecv, mpi_allreduce, & mpi_reduce, mpi_barrier, mpi_ibarrier, mpi_iallreduce, mpi_test, mpi_probe, mpi_wait, mpi_iprobe, & mpi_testany, mpi_testall, mpi_waitany, mpi_waitall, mpi_allgather, mpi_allgatherv, mpi_iallgather, & mpi_iallgatherv, mpi_gather, mpi_gatherv, mpi_scatter, mpi_scatterv, mpi_iscatterv, mpi_iscatter, & mpi_scan, mpi_alltoall, mpi_alltoallv, mpi_type_indexed, mpi_bcast, mpi_ibcast, mpi_group_free, & mpi_comm_free, mpi_comm_create, mpi_win_create, mpi_rget, mpi_free_mem, mpi_get_address, & MPI_FILE_WRITE_AT, MPI_FILE_WRITE_AT_ALL, mpi_comm_group, mpi_init, mpi_init_thread, mpi_bottom, & MPI_IN_PLACE, MPI_MIN, MPI_MAX, MPI_SUM, MPI_PROD, MPI_SOURCE, MPI_TAG, MPI_REAL, MPI_INTEGER8, & MPI_MODE_NOCHECK, MPI_CHARACTER, MPI_ERRORS_RETURN, MPI_2DOUBLE_PRECISION, MPI_MAXLOC, MPI_LOR, & MPI_MINLOC, MPI_SUCCESS, MPI_THREAD_FUNNELED #endif #if defined(__parallel) && ! defined(__USE_MPI_F08) USE mpi #endif ! subroutines: unfortunately, mpi implementations do not provide interfaces for all subroutines (problems with types and ranks explosion), ! we do not quite know what is in the module, so we can not include any.... ! to nevertheless get checking for what is included, we use the mpi module without use clause, getting all there is ! USE mpi, ONLY: mpi_allgather, mpi_allgatherv, mpi_alloc_mem, mpi_allreduce, mpi_alltoall, mpi_alltoallv, mpi_bcast,& ! mpi_cart_coords, mpi_cart_create, mpi_cart_get, mpi_cart_rank, mpi_cart_sub, mpi_dims_create, mpi_file_close,& ! mpi_file_get_size, mpi_file_open, mpi_file_read_at_all, mpi_file_read_at, mpi_file_write_at_all,& ! mpi_file_write_at, mpi_free_mem, mpi_gather, mpi_gatherv, mpi_get_address, mpi_group_translate_ranks, mpi_irecv,& ! mpi_isend, mpi_recv, mpi_reduce, mpi_reduce_scatter, mpi_rget, mpi_scatter, mpi_send,& ! mpi_sendrecv, mpi_sendrecv_replace, mpi_testany, mpi_waitall, mpi_waitany, mpi_win_create ! functions ! USE mpi, ONLY: mpi_wtime ! constants ! USE mpi, ONLY: MPI_DOUBLE_PRECISION, MPI_DOUBLE_COMPLEX, MPI_REAL, MPI_COMPLEX, MPI_ANY_TAG,& ! MPI_ANY_SOURCE, MPI_COMM_NULL, MPI_REQUEST_NULL, MPI_WIN_NULL, MPI_STATUS_SIZE, MPI_STATUS_IGNORE, MPI_STATUSES_IGNORE, & ! MPI_ADDRESS_KIND, MPI_OFFSET_KIND, MPI_MODE_CREATE, MPI_MODE_RDONLY, MPI_MODE_WRONLY,& ! MPI_MODE_RDWR, MPI_MODE_EXCL, MPI_COMM_SELF, MPI_COMM_WORLD, MPI_THREAD_FUNNELED,& ! MPI_ERRORS_RETURN, MPI_SUCCESS, MPI_MAX_PROCESSOR_NAME, MPI_MAX_ERROR_STRING, MPI_IDENT,& ! MPI_UNEQUAL, MPI_MAX, MPI_SUM, MPI_INFO_NULL, MPI_IN_PLACE, MPI_CONGRUENT, MPI_SIMILAR, MPI_MIN, MPI_SOURCE,& ! MPI_TAG, MPI_INTEGER8, MPI_INTEGER, MPI_MAXLOC, MPI_2INTEGER, MPI_MINLOC, MPI_LOGICAL, MPI_2DOUBLE_PRECISION,& ! MPI_LOR, MPI_CHARACTER, MPI_BOTTOM, MPI_MODE_NOCHECK, MPI_2REAL ! To simplify the transition between the old MPI module and the F08-style module, we introduce these macros to switch between the required handle types ! Unfortunately, Fortran does not offer something like typedef in C/C++ ! ! MPI_STATUS_ARRAY is a macro to provide the appropriate type of arrays of status variables because with mpi. ! ! MPI_STATUS_EXTRACT is a macro to provide an extraction method from the respective MPI_Status objects/ status arrays depending on the MPI library in use. ! Use it as "<name of status variable> MPI_STATUS_EXTRACT(<name of component of interest>)". ! The space before MPI_STATUS_EXTRACT is compulsory to allow the C-preprocessor to identify the macro. ! In Fortran, this space is ignored according to the standards. #if defined(__parallel) && defined(__USE_MPI_F08) #define MPI_DATA_TYPE TYPE(MPI_Datatype) #define MPI_COMM_TYPE TYPE(MPI_Comm) #define MPI_REQUEST_TYPE TYPE(MPI_Request) #define MPI_WIN_TYPE TYPE(MPI_Win) #define MPI_FILE_TYPE TYPE(MPI_File) #define MPI_INFO_TYPE TYPE(MPI_Info) #define MPI_STATUS_TYPE TYPE(MPI_Status) #define MPI_STATUS_TYPE_ARRAY(X) TYPE(MPI_Status),DIMENSION(X) #define MPI_GROUP_TYPE TYPE(MPI_Group) #define MPI_STATUS_EXTRACT(X) %X #else #define MPI_DATA_TYPE INTEGER #define MPI_COMM_TYPE INTEGER #define MPI_REQUEST_TYPE INTEGER #define MPI_WIN_TYPE INTEGER #define MPI_FILE_TYPE INTEGER #define MPI_INFO_TYPE INTEGER #define MPI_STATUS_TYPE INTEGER,DIMENSION(MPI_STATUS_SIZE) #define MPI_STATUS_TYPE_ARRAY(X) INTEGER,DIMENSION(MPI_STATUS_SIZE,X) #define MPI_GROUP_TYPE INTEGER #define MPI_STATUS_EXTRACT(X) (X) #endif IMPLICIT NONE PRIVATE ! parameters that might be needed #if defined(__parallel) LOGICAL, PARAMETER :: dbcsr_is_parallel = .TRUE. INTEGER, PARAMETER, PUBLIC :: mp_any_tag = MPI_ANY_TAG INTEGER, PARAMETER, PUBLIC :: mp_any_source = MPI_ANY_SOURCE MPI_COMM_TYPE, PARAMETER :: mp_comm_null_handle = MPI_COMM_NULL MPI_COMM_TYPE, PARAMETER :: mp_comm_self_handle = MPI_COMM_SELF MPI_COMM_TYPE, PARAMETER :: mp_comm_world_handle = MPI_COMM_WORLD MPI_REQUEST_TYPE, PARAMETER :: mp_request_null_handle = MPI_REQUEST_NULL MPI_WIN_TYPE, PARAMETER :: mp_win_null_handle = MPI_WIN_NULL MPI_FILE_TYPE, PARAMETER :: mp_file_null_handle = MPI_FILE_NULL MPI_INFO_TYPE, PARAMETER :: mp_info_null_handle = MPI_INFO_NULL INTEGER, PARAMETER, PUBLIC :: mp_status_size = MPI_STATUS_SIZE INTEGER, PARAMETER, PUBLIC :: mp_proc_null = MPI_PROC_NULL ! Set max allocatable memory by MPI to 2 GiByte INTEGER(KIND=MPI_ADDRESS_KIND), PARAMETER, PRIVATE :: mp_max_memory_size = HUGE(INT(1, KIND=int_4)) INTEGER, PARAMETER, PUBLIC :: mp_max_library_version_string = MPI_MAX_LIBRARY_VERSION_STRING INTEGER, PARAMETER, PUBLIC :: file_offset = MPI_OFFSET_KIND INTEGER, PARAMETER, PUBLIC :: address_kind = MPI_ADDRESS_KIND INTEGER, PARAMETER, PUBLIC :: file_amode_create = MPI_MODE_CREATE INTEGER, PARAMETER, PUBLIC :: file_amode_rdonly = MPI_MODE_RDONLY INTEGER, PARAMETER, PUBLIC :: file_amode_wronly = MPI_MODE_WRONLY INTEGER, PARAMETER, PUBLIC :: file_amode_rdwr = MPI_MODE_RDWR INTEGER, PARAMETER, PUBLIC :: file_amode_excl = MPI_MODE_EXCL INTEGER, PARAMETER, PUBLIC :: file_amode_append = MPI_MODE_APPEND #else LOGICAL, PARAMETER :: dbcsr_is_parallel = .FALSE. INTEGER, PARAMETER, PUBLIC :: mp_any_tag = -1 INTEGER, PARAMETER, PUBLIC :: mp_any_source = -2 MPI_COMM_TYPE, PARAMETER :: mp_comm_null_handle = -3 MPI_COMM_TYPE, PARAMETER :: mp_comm_self_handle = -11 MPI_COMM_TYPE, PARAMETER :: mp_comm_world_handle = -12 MPI_REQUEST_TYPE, PARAMETER :: mp_request_null_handle = -4 MPI_WIN_TYPE, PARAMETER :: mp_win_null_handle = -5 MPI_FILE_TYPE, PARAMETER :: mp_file_null_handle = -6 MPI_INFO_TYPE, PARAMETER :: mp_info_null_handle = -7 INTEGER, PARAMETER, PUBLIC :: mp_status_size = -7 INTEGER, PARAMETER, PUBLIC :: mp_proc_null = -8 INTEGER, PARAMETER, PUBLIC :: mp_max_library_version_string = 1 INTEGER, PARAMETER, PUBLIC :: file_offset = int_8 INTEGER, PARAMETER, PUBLIC :: address_kind = int_8 INTEGER, PARAMETER, PUBLIC :: file_amode_create = 1 INTEGER, PARAMETER, PUBLIC :: file_amode_rdonly = 2 INTEGER, PARAMETER, PUBLIC :: file_amode_wronly = 4 INTEGER, PARAMETER, PUBLIC :: file_amode_rdwr = 8 INTEGER, PARAMETER, PUBLIC :: file_amode_excl = 64 INTEGER, PARAMETER, PUBLIC :: file_amode_append = 128 #endif ! MPI wrapper types (keep the handles private for to switch between serial mode/old mpi module and mpi_f08!) TYPE mp_comm_type PRIVATE MPI_COMM_TYPE :: handle = mp_comm_null_handle CONTAINS PROCEDURE, PUBLIC, PASS(comm), NON_OVERRIDABLE :: get_handle => mp_get_comm_handle PROCEDURE, PUBLIC, PASS(comm), NON_OVERRIDABLE :: set_handle => mp_set_comm_handle PROCEDURE, PRIVATE, PASS(comm1), NON_OVERRIDABLE :: mp_comm_op_eq GENERIC, PUBLIC :: OPERATOR(.EQ.) => mp_comm_op_eq PROCEDURE, PRIVATE, PASS(comm1), NON_OVERRIDABLE :: mp_comm_op_ne GENERIC, PUBLIC :: OPERATOR(.NE.) => mp_comm_op_ne END TYPE mp_comm_type TYPE mp_request_type PRIVATE MPI_REQUEST_TYPE :: handle = mp_request_null_handle CONTAINS PROCEDURE, PUBLIC, PASS(request), NON_OVERRIDABLE :: get_handle => mp_get_request_handle PROCEDURE, PUBLIC, PASS(request), NON_OVERRIDABLE :: set_handle => mp_set_request_handle PROCEDURE, PRIVATE, PASS(request1), NON_OVERRIDABLE :: mp_request_op_eq GENERIC, PUBLIC :: OPERATOR(.EQ.) => mp_request_op_eq PROCEDURE, PRIVATE, PASS(request1), NON_OVERRIDABLE :: mp_request_op_ne GENERIC, PUBLIC :: OPERATOR(.NE.) => mp_request_op_ne END TYPE mp_request_type TYPE mp_win_type PRIVATE MPI_WIN_TYPE :: handle = mp_win_null_handle CONTAINS PROCEDURE, PUBLIC, PASS(win), NON_OVERRIDABLE :: get_handle => mp_get_win_handle PROCEDURE, PUBLIC, PASS(win), NON_OVERRIDABLE :: set_handle => mp_set_win_handle PROCEDURE, PRIVATE, PASS(win1), NON_OVERRIDABLE :: mp_win_op_eq GENERIC, PUBLIC :: OPERATOR(.EQ.) => mp_win_op_eq PROCEDURE, PRIVATE, PASS(win1), NON_OVERRIDABLE :: mp_win_op_ne GENERIC, PUBLIC :: OPERATOR(.NE.) => mp_win_op_ne END TYPE mp_win_type TYPE mp_file_type PRIVATE MPI_FILE_TYPE :: handle = mp_file_null_handle CONTAINS PROCEDURE, PUBLIC, PASS(file), NON_OVERRIDABLE :: get_handle => mp_get_file_handle PROCEDURE, PUBLIC, PASS(file), NON_OVERRIDABLE :: set_handle => mp_set_file_handle PROCEDURE, PRIVATE, PASS(file1), NON_OVERRIDABLE :: mp_file_op_eq GENERIC, PUBLIC :: OPERATOR(.EQ.) => mp_file_op_eq PROCEDURE, PRIVATE, PASS(file1), NON_OVERRIDABLE :: mp_file_op_ne GENERIC, PUBLIC :: OPERATOR(.NE.) => mp_file_op_ne END TYPE mp_file_type TYPE mp_info_type PRIVATE MPI_INFO_TYPE :: handle = mp_info_null_handle CONTAINS PROCEDURE, PUBLIC, PASS(info), NON_OVERRIDABLE :: get_handle => mp_get_info_handle PROCEDURE, PUBLIC, PASS(info), NON_OVERRIDABLE :: set_handle => mp_set_info_handle PROCEDURE, PRIVATE, PASS(info1), NON_OVERRIDABLE :: mp_info_op_eq GENERIC, PUBLIC :: OPERATOR(.EQ.) => mp_info_op_eq PROCEDURE, PRIVATE, PASS(info1), NON_OVERRIDABLE :: mp_info_op_ne GENERIC, PUBLIC :: OPERATOR(.NE.) => mp_info_op_ne END TYPE mp_info_type ! The actual MPI wrapper constants TYPE(mp_comm_type), PARAMETER, PUBLIC :: mp_comm_null = mp_comm_type(mp_comm_null_handle) TYPE(mp_comm_type), PARAMETER, PUBLIC :: mp_comm_self = mp_comm_type(mp_comm_self_handle) TYPE(mp_comm_type), PARAMETER, PUBLIC :: mp_comm_world = mp_comm_type(mp_comm_world_handle) TYPE(mp_request_type), PARAMETER, PUBLIC :: mp_request_null = mp_request_type(mp_request_null_handle) TYPE(mp_win_type), PARAMETER, PUBLIC :: mp_win_null = mp_win_type(mp_win_null_handle) TYPE(mp_file_type), PARAMETER, PUBLIC :: mp_file_null = mp_file_type(mp_file_null_handle) TYPE(mp_info_type), PARAMETER, PUBLIC :: mp_info_null = mp_info_type(mp_info_null_handle) ! we need to fix this to a given number (crossing fingers) ! so that the serial code using Fortran stream IO and the MPI have the same sizes. INTEGER, PARAMETER, PUBLIC :: mpi_character_size = 1 INTEGER, PARAMETER, PUBLIC :: mpi_integer_size = 4 CHARACTER(LEN=*), PARAMETER, PRIVATE :: moduleN = 'dbcsr_mpiwrap' #if defined(__parallel) ! internal reference counter used to debug communicator leaks INTEGER, PRIVATE, SAVE :: debug_comm_count = 0 #endif ! types PUBLIC :: mp_comm_type PUBLIC :: mp_request_type PUBLIC :: mp_win_type PUBLIC :: mp_file_type PUBLIC :: mp_info_type ! init and error PUBLIC :: mp_world_init, mp_world_finalize PUBLIC :: mp_get_comm_count PUBLIC :: mp_abort ! performance gathering PUBLIC :: mp_perf_env_type PUBLIC :: mp_perf_env_retain, mp_perf_env_release PUBLIC :: add_mp_perf_env, rm_mp_perf_env, get_mp_perf_env, describe_mp_perf_env PUBLIC :: has_mp_perf_env ! informational / generation of sub comms PUBLIC :: mp_environ, mp_comm_compare, mp_cart_coords, mp_rank_compare PUBLIC :: mp_cart_create, mp_dims_create, mp_cart_rank, mp_cart_sub, mp_comm_free PUBLIC :: mp_comm_dup, mp_comm_split, mp_comm_split_direct PUBLIC :: dbcsr_is_parallel PUBLIC :: mp_probe ! message passing PUBLIC :: mp_bcast, mp_sum, mp_sum_partial, mp_max, mp_maxloc, mp_minloc, mp_min, mp_prod, mp_sync PUBLIC :: mp_isync, mp_isum PUBLIC :: mp_gather, mp_alltoall, mp_sendrecv, mp_allgather, mp_iallgather PUBLIC :: mp_isend, mp_irecv, mp_ibcast PUBLIC :: mp_isendrecv, mp_wait, mp_waitall, mp_waitany, mp_testany PUBLIC :: mp_testall, mp_iscatter, mp_test PUBLIC :: mp_gatherv PUBLIC :: mp_send, mp_recv ! Memory management PUBLIC :: mp_allocate, mp_deallocate ! MPI re-ordering PUBLIC :: mp_reordering ! I/O PUBLIC :: mp_file_open, mp_file_close PUBLIC :: mp_file_delete PUBLIC :: mp_file_write_at PUBLIC :: mp_file_write_at_all, mp_file_read_at_all PUBLIC :: mp_file_get_size PUBLIC :: mp_file_get_position ! some 'advanced types' currently only used for dbcsr PUBLIC :: mp_type_descriptor_type PUBLIC :: mp_type_make PUBLIC :: mp_type_size ! one-sided communication PUBLIC :: mp_win_create, mp_win_free, mp_win_lock_all, & mp_win_unlock_all, mp_rget, mp_win_flush_all ! vector types PUBLIC :: mp_type_indexed_make_r, mp_type_indexed_make_d, & mp_type_indexed_make_c, mp_type_indexed_make_z, & mp_type_indexed_make_i, mp_type_indexed_make_l ! misc PUBLIC :: mp_get_library_version, mp_get_processor_name ! assumed to be private ! Interface declarations for non-data-oriented subroutines. INTERFACE mp_environ MODULE PROCEDURE mp_environ_l, mp_environ_c, mp_environ_c2 END INTERFACE INTERFACE mp_waitall MODULE PROCEDURE mp_waitall_1, mp_waitall_2 END INTERFACE INTERFACE mp_testall MODULE PROCEDURE mp_testall_tv END INTERFACE INTERFACE mp_test MODULE PROCEDURE mp_test_1 END INTERFACE INTERFACE mp_testany MODULE PROCEDURE mp_testany_1, mp_testany_2 END INTERFACE ! ! interfaces to deal easily with scalars / vectors / matrices / ... ! of the different types (integers, doubles, logicals, characters) ! INTERFACE mp_minloc MODULE PROCEDURE mp_minloc_dv END INTERFACE INTERFACE mp_maxloc MODULE PROCEDURE mp_maxloc_dv END INTERFACE INTERFACE mp_bcast # 337 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_bcast_i, mp_bcast_iv, mp_bcast_im, mp_bcast_i3, mp_bcast_l, mp_bcast_lv, mp_bcast_lm, mp_bcast_l3,& # 337 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_bcast_d, mp_bcast_dv, mp_bcast_dm, mp_bcast_d3, mp_bcast_r, mp_bcast_rv, mp_bcast_rm, mp_bcast_r3, mp_bcast_z,& # 337 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_bcast_zv, mp_bcast_zm, mp_bcast_z3, mp_bcast_c, mp_bcast_cv, mp_bcast_cm, mp_bcast_c3, mp_bcast_b, mp_bcast_bv,& # 337 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_bcast_av, mp_bcast_am # 337 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_ibcast # 338 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_ibcast_i, mp_ibcast_iv, mp_ibcast_l, mp_ibcast_lv, mp_ibcast_d, mp_ibcast_dv, mp_ibcast_r, mp_ibcast_rv,& # 338 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_ibcast_z, mp_ibcast_zv, mp_ibcast_c, mp_ibcast_cv # 338 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_sum MODULE PROCEDURE mp_sum_i, mp_sum_iv, mp_sum_im, mp_sum_im3, mp_sum_im4, & mp_sum_l, mp_sum_lv, mp_sum_lm, mp_sum_lm3, mp_sum_lm4, & mp_sum_r, mp_sum_rv, mp_sum_rm, mp_sum_rm3, mp_sum_rm4, & mp_sum_d, mp_sum_dv, mp_sum_dm, mp_sum_dm3, mp_sum_dm4, & mp_sum_c, mp_sum_cv, mp_sum_cm, mp_sum_cm3, mp_sum_cm4, & mp_sum_z, mp_sum_zv, mp_sum_zm, mp_sum_zm3, mp_sum_zm4, & mp_sum_root_iv, mp_sum_root_im, & mp_sum_root_lv, mp_sum_root_lm, & mp_sum_root_rv, mp_sum_root_rm, & mp_sum_root_dv, mp_sum_root_dm, & mp_sum_root_cv, mp_sum_root_cm, & mp_sum_root_zv, mp_sum_root_zm MODULE PROCEDURE mp_sum_b, mp_sum_bv END INTERFACE INTERFACE mp_isum # 356 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_isum_iv, mp_isum_lv, mp_isum_dv, mp_isum_rv, mp_isum_zv, mp_isum_cv, mp_isum_bv # 356 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_sum_partial # 357 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_sum_partial_im, mp_sum_partial_lm, mp_sum_partial_dm, mp_sum_partial_rm, mp_sum_partial_zm,& # 357 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_sum_partial_cm # 357 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_max # 358 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_max_i, mp_max_iv, mp_max_l, mp_max_lv, mp_max_d, mp_max_dv, mp_max_r, mp_max_rv, mp_max_z, mp_max_zv,& # 358 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_max_c, mp_max_cv # 358 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_min # 359 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_min_i, mp_min_iv, mp_min_l, mp_min_lv, mp_min_d, mp_min_dv, mp_min_r, mp_min_rv, mp_min_z, mp_min_zv,& # 359 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_min_c, mp_min_cv # 359 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_prod # 360 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_prod_i, mp_prod_l, mp_prod_d, mp_prod_r, mp_prod_z, mp_prod_c # 360 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_gather # 361 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_gather_i, mp_gather_im, mp_gather_iv, mp_gather_l, mp_gather_lm, mp_gather_lv, mp_gather_d,& # 361 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_gather_dm, mp_gather_dv, mp_gather_r, mp_gather_rm, mp_gather_rv, mp_gather_z, mp_gather_zm, mp_gather_zv,& # 361 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_gather_c, mp_gather_cm, mp_gather_cv # 361 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_gatherv # 362 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_gatherv_iv, mp_gatherv_lv, mp_gatherv_dv, mp_gatherv_rv, mp_gatherv_zv, mp_gatherv_cv # 362 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_allgather !! @todo move allgatherv to a separate declaration MODULE PROCEDURE & mp_allgather_i, mp_allgather_i2, & mp_allgather_i12, mp_allgather_i23, mp_allgather_i34, & mp_allgather_i22, & mp_allgather_l, mp_allgather_l2, & mp_allgather_l12, mp_allgather_l23, mp_allgather_l34, & mp_allgather_l22, & mp_allgather_r, mp_allgather_r2, & mp_allgather_r12, mp_allgather_r23, mp_allgather_r34, & mp_allgather_r22, & mp_allgather_d, mp_allgather_d2, & mp_allgather_d12, mp_allgather_d23, mp_allgather_d34, & mp_allgather_d22, & mp_allgather_c, mp_allgather_c2, & mp_allgather_c12, mp_allgather_c23, mp_allgather_c34, & mp_allgather_c22, & mp_allgather_z, mp_allgather_z2, & mp_allgather_z12, mp_allgather_z23, mp_allgather_z34, & mp_allgather_z22, & mp_allgatherv_iv, & mp_allgatherv_lv, & mp_allgatherv_rv, & mp_allgatherv_dv, & mp_allgatherv_cv, & mp_allgatherv_zv END INTERFACE INTERFACE mp_iallgather MODULE PROCEDURE & mp_iallgather_i, mp_iallgather_l, & mp_iallgather_r, mp_iallgather_d, & mp_iallgather_c, mp_iallgather_z, & mp_iallgather_i11, mp_iallgather_l11, & mp_iallgather_r11, mp_iallgather_d11, & mp_iallgather_c11, mp_iallgather_z11, & mp_iallgather_i13, mp_iallgather_l13, & mp_iallgather_r13, mp_iallgather_d13, & mp_iallgather_c13, mp_iallgather_z13, & mp_iallgather_i22, mp_iallgather_l22, & mp_iallgather_r22, mp_iallgather_d22, & mp_iallgather_c22, mp_iallgather_z22, & mp_iallgather_i24, mp_iallgather_l24, & mp_iallgather_r24, mp_iallgather_d24, & mp_iallgather_c24, mp_iallgather_z24, & mp_iallgather_i33, mp_iallgather_l33, & mp_iallgather_r33, mp_iallgather_d33, & mp_iallgather_c33, mp_iallgather_z33, & mp_iallgatherv_iv, mp_iallgatherv_iv2, & mp_iallgatherv_lv, mp_iallgatherv_lv2, & mp_iallgatherv_rv, mp_iallgatherv_rv2, & mp_iallgatherv_dv, mp_iallgatherv_dv2, & mp_iallgatherv_cv, mp_iallgatherv_cv2, & mp_iallgatherv_zv, mp_iallgatherv_zv2 END INTERFACE INTERFACE mp_iscatter MODULE PROCEDURE mp_iscatter_i, & mp_iscatter_l, & mp_iscatter_r, & mp_iscatter_d, & mp_iscatter_c, & mp_iscatter_z, & mp_iscatter_iv2, & mp_iscatter_lv2, & mp_iscatter_rv2, & mp_iscatter_dv2, & mp_iscatter_cv2, & mp_iscatter_zv2, & mp_iscatterv_iv, & mp_iscatterv_lv, & mp_iscatterv_rv, & mp_iscatterv_dv, & mp_iscatterv_cv, & mp_iscatterv_zv END INTERFACE INTERFACE mp_alltoall # 442 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_alltoall_i, mp_alltoall_i22, mp_alltoall_i44, mp_alltoall_i11v, mp_alltoall_l, mp_alltoall_l22,& # 442 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_alltoall_l44, mp_alltoall_l11v, mp_alltoall_d, mp_alltoall_d22, mp_alltoall_d44, mp_alltoall_d11v, mp_alltoall_r,& # 442 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_alltoall_r22, mp_alltoall_r44, mp_alltoall_r11v, mp_alltoall_z, mp_alltoall_z22, mp_alltoall_z44, mp_alltoall_z11v,& # 442 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_alltoall_c, mp_alltoall_c22, mp_alltoall_c44, mp_alltoall_c11v # 442 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_send # 444 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_send_i, mp_send_iv, mp_send_l, mp_send_lv, mp_send_d, mp_send_dv, mp_send_r, mp_send_rv, mp_send_z,& # 444 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_send_zv, mp_send_c, mp_send_cv # 444 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_recv # 445 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_recv_i, mp_recv_iv, mp_recv_l, mp_recv_lv, mp_recv_d, mp_recv_dv, mp_recv_r, mp_recv_rv, mp_recv_z,& # 445 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_recv_zv, mp_recv_c, mp_recv_cv # 445 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_sendrecv # 446 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_sendrecv_iv, mp_sendrecv_lv, mp_sendrecv_dv, mp_sendrecv_rv, mp_sendrecv_zv, mp_sendrecv_cv # 446 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_isendrecv # 447 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_isendrecv_i, mp_isendrecv_iv, mp_isendrecv_l, mp_isendrecv_lv, mp_isendrecv_d, mp_isendrecv_dv,& # 447 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_isendrecv_r, mp_isendrecv_rv, mp_isendrecv_z, mp_isendrecv_zv, mp_isendrecv_c, mp_isendrecv_cv # 447 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_isend # 449 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_isend_iv, mp_isend_im2, mp_isend_lv, mp_isend_lm2, mp_isend_dv, mp_isend_dm2, mp_isend_rv, mp_isend_rm2,& # 449 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_isend_zv, mp_isend_zm2, mp_isend_cv, mp_isend_cm2, mp_isend_bv, mp_isend_custom # 449 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_irecv # 450 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_irecv_iv, mp_irecv_im2, mp_irecv_lv, mp_irecv_lm2, mp_irecv_dv, mp_irecv_dm2, mp_irecv_rv, mp_irecv_rm2,& # 450 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_irecv_zv, mp_irecv_zm2, mp_irecv_cv, mp_irecv_cm2, mp_irecv_bv, mp_irecv_custom # 450 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_win_create # 452 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_win_create_iv, mp_win_create_lv, mp_win_create_dv, mp_win_create_rv, mp_win_create_zv, mp_win_create_cv # 452 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_rget # 453 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_rget_iv, mp_rget_lv, mp_rget_dv, mp_rget_rv, mp_rget_zv, mp_rget_cv # 453 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_allocate # 454 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_allocate_i, mp_allocate_l, mp_allocate_d, mp_allocate_r, mp_allocate_z, mp_allocate_c # 454 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_deallocate # 455 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_deallocate_i, mp_deallocate_l, mp_deallocate_d, mp_deallocate_r, mp_deallocate_z, mp_deallocate_c # 455 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_type_make # 457 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_type_make_i, mp_type_make_l, mp_type_make_d, mp_type_make_r, mp_type_make_z, mp_type_make_c,& # 457 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_type_make_struct # 457 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_file_write_at # 459 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_file_write_at_i, mp_file_write_at_iv, mp_file_write_at_l, mp_file_write_at_lv, mp_file_write_at_d,& # 459 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_file_write_at_dv, mp_file_write_at_r, mp_file_write_at_rv, mp_file_write_at_z, mp_file_write_at_zv,& # 459 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_file_write_at_c, mp_file_write_at_cv, mp_file_write_at_ch # 459 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_file_write_at_all # 460 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_file_write_at_all_i, mp_file_write_at_all_iv, mp_file_write_at_all_l, mp_file_write_at_all_lv,& # 460 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_file_write_at_all_d, mp_file_write_at_all_dv, mp_file_write_at_all_r, mp_file_write_at_all_rv,& # 460 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_file_write_at_all_z, mp_file_write_at_all_zv, mp_file_write_at_all_c, mp_file_write_at_all_cv,& # 460 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_file_write_at_all_ch # 460 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_file_read_at_all # 461 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_file_read_at_all_i, mp_file_read_at_all_iv, mp_file_read_at_all_l, mp_file_read_at_all_lv,& # 461 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_file_read_at_all_d, mp_file_read_at_all_dv, mp_file_read_at_all_r, mp_file_read_at_all_rv, mp_file_read_at_all_z,& # 461 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" & mp_file_read_at_all_zv, mp_file_read_at_all_c, mp_file_read_at_all_cv, mp_file_read_at_all_ch # 461 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE #if defined(__parallel) INTERFACE mp_alloc_mem # 464 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_alloc_mem_i, mp_alloc_mem_l, mp_alloc_mem_d, mp_alloc_mem_r, mp_alloc_mem_z, mp_alloc_mem_c # 464 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE INTERFACE mp_free_mem # 465 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" MODULE PROCEDURE mp_free_mem_i, mp_free_mem_l, mp_free_mem_d, mp_free_mem_r, mp_free_mem_z, mp_free_mem_c # 465 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" END INTERFACE #endif ! Type declarations TYPE mp_indexing_meta_type INTEGER, DIMENSION(:), POINTER :: index, chunks END TYPE mp_indexing_meta_type TYPE mp_type_descriptor_type MPI_DATA_TYPE :: type_handle INTEGER :: length #if defined(__parallel) INTEGER(kind=mpi_address_kind) :: base #endif INTEGER(kind=int_4), DIMENSION(:), POINTER :: data_i INTEGER(kind=int_8), DIMENSION(:), POINTER :: data_l REAL(kind=real_4), DIMENSION(:), POINTER :: data_r REAL(kind=real_8), DIMENSION(:), POINTER :: data_d COMPLEX(kind=real_4), DIMENSION(:), POINTER :: data_c COMPLEX(kind=real_8), DIMENSION(:), POINTER :: data_z TYPE(mp_type_descriptor_type), DIMENSION(:), POINTER :: subtype INTEGER :: vector_descriptor(2) LOGICAL :: has_indexing TYPE(mp_indexing_meta_type) :: index_descriptor END TYPE mp_type_descriptor_type TYPE mp_file_indexing_meta_type INTEGER, DIMENSION(:), POINTER :: index INTEGER(kind=address_kind), & DIMENSION(:), POINTER :: chunks END TYPE mp_file_indexing_meta_type ! type internally used to store message passing performance indicators ! ************************************************************************************************** TYPE mp_perf_type CHARACTER(LEN=20) :: name INTEGER :: count REAL(KIND=dp) :: msg_size END TYPE mp_perf_type INTEGER, PARAMETER :: MAX_PERF = 28 ! ************************************************************************************************** TYPE mp_perf_env_type !private INTEGER :: ref_count, id_nr TYPE(mp_perf_type), DIMENSION(MAX_PERF) :: mp_perfs END TYPE mp_perf_env_type ! ************************************************************************************************** TYPE mp_perf_env_p_type TYPE(mp_perf_env_type), POINTER :: mp_perf_env => Null() END TYPE mp_perf_env_p_type ! introduce a stack of mp_perfs, first index is the stack pointer, for convenience is replacing INTEGER, PARAMETER :: max_stack_size = 10 INTEGER :: stack_pointer = 0 ! target attribute needed as a hack around ifc 7.1 bug TYPE(mp_perf_env_p_type), DIMENSION(max_stack_size), TARGET, SAVE :: mp_perf_stack CHARACTER(LEN=20), PARAMETER :: sname(MAX_PERF) = & (/"MP_Group ", "MP_Bcast ", "MP_Allreduce ", & "MP_Gather ", "MP_Sync ", "MP_Alltoall ", & "MP_SendRecv ", "MP_ISendRecv ", "MP_Wait ", & "MP_comm_split ", "MP_ISend ", "MP_IRecv ", & "MP_Send ", "MP_Recv ", "MP_Memory ", & "MP_Put ", "MP_Get ", "MP_Fence ", & "MP_Win_Lock ", "MP_Win_Create ", "MP_Win_Free ", & "MP_IBcast ", "MP_IAllreduce ", "MP_IScatter ", & "MP_RGet ", "MP_Isync ", "MP_Read_All ", & "MP_Write_All "/) ! we make some assumptions on the length of INTEGERS, REALS and LOGICALS INTEGER, PARAMETER :: intlen = BIT_SIZE(0)/8 INTEGER, PARAMETER :: reallen = 8 INTEGER, PARAMETER :: loglen = BIT_SIZE(0)/8 INTEGER, PARAMETER :: charlen = 1 INTEGER, SAVE, PRIVATE :: last_mp_perf_env_id = 0 CONTAINS # 549 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" # 550 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" ELEMENTAL INTEGER FUNCTION mp_get_comm_handle(comm) CLASS(mp_comm_type), INTENT(IN) :: comm #if defined(__parallel) && defined(__USE_MPI_F08) mp_get_comm_handle = comm%handle%mpi_val #else mp_get_comm_handle = comm%handle #endif END FUNCTION mp_get_comm_handle ELEMENTAL SUBROUTINE mp_set_comm_handle(comm, handle) CLASS(mp_comm_type), INTENT(INOUT) :: comm INTEGER, INTENT(IN) :: handle #if defined(__parallel) && defined(__USE_MPI_F08) comm%handle%mpi_val = handle #else comm%handle = handle #endif END SUBROUTINE mp_set_comm_handle ELEMENTAL IMPURE LOGICAL FUNCTION mp_comm_op_eq(comm1, comm2) CLASS(mp_comm_type), INTENT(IN) :: comm1, comm2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_comm_op_eq = (comm1%handle%mpi_val .EQ. comm2%handle%mpi_val) #else mp_comm_op_eq = (comm1%handle .EQ. comm2%handle) #endif END FUNCTION mp_comm_op_eq ELEMENTAL IMPURE LOGICAL FUNCTION mp_comm_op_ne(comm1, comm2) CLASS(mp_comm_type), INTENT(IN) :: comm1, comm2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_comm_op_ne = (comm1%handle%mpi_val .NE. comm2%handle%mpi_val) #else mp_comm_op_ne = (comm1%handle .NE. comm2%handle) #endif END FUNCTION mp_comm_op_ne # 550 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" ELEMENTAL INTEGER FUNCTION mp_get_request_handle(request) CLASS(mp_request_type), INTENT(IN) :: request #if defined(__parallel) && defined(__USE_MPI_F08) mp_get_request_handle = request%handle%mpi_val #else mp_get_request_handle = request%handle #endif END FUNCTION mp_get_request_handle ELEMENTAL SUBROUTINE mp_set_request_handle(request, handle) CLASS(mp_request_type), INTENT(INOUT) :: request INTEGER, INTENT(IN) :: handle #if defined(__parallel) && defined(__USE_MPI_F08) request%handle%mpi_val = handle #else request%handle = handle #endif END SUBROUTINE mp_set_request_handle ELEMENTAL IMPURE LOGICAL FUNCTION mp_request_op_eq(request1, request2) CLASS(mp_request_type), INTENT(IN) :: request1, request2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_request_op_eq = (request1%handle%mpi_val .EQ. request2%handle%mpi_val) #else mp_request_op_eq = (request1%handle .EQ. request2%handle) #endif END FUNCTION mp_request_op_eq ELEMENTAL IMPURE LOGICAL FUNCTION mp_request_op_ne(request1, request2) CLASS(mp_request_type), INTENT(IN) :: request1, request2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_request_op_ne = (request1%handle%mpi_val .NE. request2%handle%mpi_val) #else mp_request_op_ne = (request1%handle .NE. request2%handle) #endif END FUNCTION mp_request_op_ne # 550 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" ELEMENTAL INTEGER FUNCTION mp_get_win_handle(win) CLASS(mp_win_type), INTENT(IN) :: win #if defined(__parallel) && defined(__USE_MPI_F08) mp_get_win_handle = win%handle%mpi_val #else mp_get_win_handle = win%handle #endif END FUNCTION mp_get_win_handle ELEMENTAL SUBROUTINE mp_set_win_handle(win, handle) CLASS(mp_win_type), INTENT(INOUT) :: win INTEGER, INTENT(IN) :: handle #if defined(__parallel) && defined(__USE_MPI_F08) win%handle%mpi_val = handle #else win%handle = handle #endif END SUBROUTINE mp_set_win_handle ELEMENTAL IMPURE LOGICAL FUNCTION mp_win_op_eq(win1, win2) CLASS(mp_win_type), INTENT(IN) :: win1, win2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_win_op_eq = (win1%handle%mpi_val .EQ. win2%handle%mpi_val) #else mp_win_op_eq = (win1%handle .EQ. win2%handle) #endif END FUNCTION mp_win_op_eq ELEMENTAL IMPURE LOGICAL FUNCTION mp_win_op_ne(win1, win2) CLASS(mp_win_type), INTENT(IN) :: win1, win2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_win_op_ne = (win1%handle%mpi_val .NE. win2%handle%mpi_val) #else mp_win_op_ne = (win1%handle .NE. win2%handle) #endif END FUNCTION mp_win_op_ne # 550 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" ELEMENTAL INTEGER FUNCTION mp_get_file_handle(file) CLASS(mp_file_type), INTENT(IN) :: file #if defined(__parallel) && defined(__USE_MPI_F08) mp_get_file_handle = file%handle%mpi_val #else mp_get_file_handle = file%handle #endif END FUNCTION mp_get_file_handle ELEMENTAL SUBROUTINE mp_set_file_handle(file, handle) CLASS(mp_file_type), INTENT(INOUT) :: file INTEGER, INTENT(IN) :: handle #if defined(__parallel) && defined(__USE_MPI_F08) file%handle%mpi_val = handle #else file%handle = handle #endif END SUBROUTINE mp_set_file_handle ELEMENTAL IMPURE LOGICAL FUNCTION mp_file_op_eq(file1, file2) CLASS(mp_file_type), INTENT(IN) :: file1, file2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_file_op_eq = (file1%handle%mpi_val .EQ. file2%handle%mpi_val) #else mp_file_op_eq = (file1%handle .EQ. file2%handle) #endif END FUNCTION mp_file_op_eq ELEMENTAL IMPURE LOGICAL FUNCTION mp_file_op_ne(file1, file2) CLASS(mp_file_type), INTENT(IN) :: file1, file2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_file_op_ne = (file1%handle%mpi_val .NE. file2%handle%mpi_val) #else mp_file_op_ne = (file1%handle .NE. file2%handle) #endif END FUNCTION mp_file_op_ne # 550 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" ELEMENTAL INTEGER FUNCTION mp_get_info_handle(info) CLASS(mp_info_type), INTENT(IN) :: info #if defined(__parallel) && defined(__USE_MPI_F08) mp_get_info_handle = info%handle%mpi_val #else mp_get_info_handle = info%handle #endif END FUNCTION mp_get_info_handle ELEMENTAL SUBROUTINE mp_set_info_handle(info, handle) CLASS(mp_info_type), INTENT(INOUT) :: info INTEGER, INTENT(IN) :: handle #if defined(__parallel) && defined(__USE_MPI_F08) info%handle%mpi_val = handle #else info%handle = handle #endif END SUBROUTINE mp_set_info_handle ELEMENTAL IMPURE LOGICAL FUNCTION mp_info_op_eq(info1, info2) CLASS(mp_info_type), INTENT(IN) :: info1, info2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_info_op_eq = (info1%handle%mpi_val .EQ. info2%handle%mpi_val) #else mp_info_op_eq = (info1%handle .EQ. info2%handle) #endif END FUNCTION mp_info_op_eq ELEMENTAL IMPURE LOGICAL FUNCTION mp_info_op_ne(info1, info2) CLASS(mp_info_type), INTENT(IN) :: info1, info2 #if defined(__parallel) && defined(__USE_MPI_F08) mp_info_op_ne = (info1%handle%mpi_val .NE. info2%handle%mpi_val) #else mp_info_op_ne = (info1%handle .NE. info2%handle) #endif END FUNCTION mp_info_op_ne # 595 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" SUBROUTINE mp_world_init(mp_comm) !! initializes the system default communicator !! @note !! should only be called once TYPE(mp_comm_type), INTENT(OUT) :: mp_comm !! [output] : handle of the default communicator #if defined(__parallel) INTEGER :: ierr !$ INTEGER :: provided_tsl !$ LOGICAL :: no_threading_support #if defined(__NO_MPI_THREAD_SUPPORT_CHECK) ! Hack that does not request or check MPI thread support level. ! User asserts that the MPI library will work correctly with ! threads. ! !$ no_threading_support = .TRUE. #else ! Does the right thing when using OpenMP: requests that the MPI ! library supports funneled mode and verifies that the MPI library ! provides that support. ! ! Developers: Only the master thread will ever make calls to the ! MPI library. ! !$ no_threading_support = .FALSE. #endif !$ IF (no_threading_support) THEN CALL mpi_init(ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_init @ mp_world_init") !$ ELSE !$OMP MASTER !$ CALL mpi_init_thread(MPI_THREAD_FUNNELED, provided_tsl, ierr) !$ IF (ierr /= 0) CALL mp_stop(ierr, "mpi_init_thread @ mp_world_init") !$ IF (provided_tsl .LT. MPI_THREAD_FUNNELED) THEN !$ CALL mp_stop(0, "MPI library does not support the requested level of threading (MPI_THREAD_FUNNELED).") !$ END IF !$OMP END MASTER !$ END IF CALL mpi_comm_set_errhandler(MPI_COMM_WORLD, MPI_ERRORS_RETURN, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_set_errhandler @ mp_world_init") debug_comm_count = 1 #endif mp_comm = mp_comm_world CALL add_mp_perf_env() END SUBROUTINE mp_world_init FUNCTION mp_get_comm_count() !! Return the current number of communicators INTEGER :: mp_get_comm_count mp_get_comm_count = 0 #if defined(__parallel) mp_get_comm_count = debug_comm_count #endif END FUNCTION mp_get_comm_count SUBROUTINE mp_reordering(mp_comm, mp_new_comm, ranks_order) !! re-create the system default communicator with a different MPI !! rank order !! @note !! should only be called once, at very beginning of CP2K run TYPE(mp_comm_type), INTENT(IN) :: mp_comm !! [output] : handle of the default communicator TYPE(mp_comm_type), INTENT(out) :: mp_new_comm INTEGER, DIMENSION(:), CONTIGUOUS :: ranks_order CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_reordering' INTEGER :: handle, ierr #if defined(__parallel) MPI_GROUP_TYPE :: newgroup, oldgroup TYPE(mp_comm_type) :: newcomm #endif CALL timeset(routineN, handle) ierr = 0 #if defined(__parallel) CALL mpi_comm_group(mp_comm%handle, oldgroup, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_group @ "//routineN) CALL mpi_group_incl(oldgroup, SIZE(ranks_order), ranks_order, newgroup, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_group_incl @ "//routineN) CALL mpi_comm_create(mp_comm%handle, newgroup, newcomm%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_create @ "//routineN) CALL mpi_group_free(oldgroup, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_group_free @ "//routineN) CALL mpi_group_free(newgroup, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_group_free @ "//routineN) ! update the system default communicator mp_new_comm = newcomm debug_comm_count = debug_comm_count + 1 #else MARK_USED(ranks_order) mp_new_comm = mp_comm #endif CALL timestop(handle) END SUBROUTINE mp_reordering SUBROUTINE mp_world_finalize() !! finalizes the system default communicator #if defined(__parallel) INTEGER :: ierr CALL mpi_barrier(MPI_COMM_WORLD, ierr) ! call mpi directly to avoid 0 stack pointer CALL rm_mp_perf_env() IF (ierr /= 0) CALL mp_stop(ierr, "mpi_barrier @ mp_world_finalize") debug_comm_count = debug_comm_count - 1 IF (debug_comm_count .NE. 0) THEN ! A bug, we're leaking or double-freeing communicators. Needs to be fixed where the leak happens. ! Memory leak checking might be helpful to locate the culprit DBCSR_ABORT("mp_world_finalize: assert failed: leaking communicators") END IF CALL mpi_finalize(ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_finalize @ mp_world_finalize") #else CALL rm_mp_perf_env() #endif END SUBROUTINE mp_world_finalize ! all the following routines should work for a given communicator, not MPI_WORLD SUBROUTINE add_mp_perf_env(perf_env) !! start and stop the performance indicators !! for every call to start there has to be (exactly) one call to stop !! @note !! can be used to measure performance of a sub-part of a program. !! timings measured here will not show up in the outer start/stops !! Doesn't need a fresh communicator TYPE(mp_perf_env_type), OPTIONAL, POINTER :: perf_env stack_pointer = stack_pointer + 1 IF (stack_pointer > max_stack_size) THEN DBCSR_ABORT("stack_pointer too large : mpiwrap @ add_mp_perf_env") END IF NULLIFY (mp_perf_stack(stack_pointer)%mp_perf_env) IF (PRESENT(perf_env)) THEN mp_perf_stack(stack_pointer)%mp_perf_env => perf_env IF (ASSOCIATED(perf_env)) CALL mp_perf_env_retain(perf_env) END IF IF (.NOT. ASSOCIATED(mp_perf_stack(stack_pointer)%mp_perf_env)) THEN CALL mp_perf_env_create(mp_perf_stack(stack_pointer)%mp_perf_env) END IF END SUBROUTINE add_mp_perf_env SUBROUTINE mp_perf_env_create(perf_env) TYPE(mp_perf_env_type), OPTIONAL, POINTER :: perf_env INTEGER :: i, stat NULLIFY (perf_env) ALLOCATE (perf_env, stat=stat) IF (stat /= 0) THEN DBCSR_ABORT("allocation failed in mp_perf_env_create") END IF last_mp_perf_env_id = last_mp_perf_env_id + 1 perf_env%id_nr = last_mp_perf_env_id perf_env%ref_count = 1 DO i = 1, MAX_PERF perf_env%mp_perfs(i)%name = sname(i) perf_env%mp_perfs(i)%count = 0 perf_env%mp_perfs(i)%msg_size = 0.0_dp END DO END SUBROUTINE mp_perf_env_create SUBROUTINE mp_perf_env_release(perf_env) TYPE(mp_perf_env_type), POINTER :: perf_env IF (ASSOCIATED(perf_env)) THEN IF (perf_env%ref_count < 1) THEN DBCSR_ABORT("invalid ref_count: mpiwrap @ mp_perf_env_release") END IF perf_env%ref_count = perf_env%ref_count - 1 IF (perf_env%ref_count == 0) THEN DEALLOCATE (perf_env) END IF END IF NULLIFY (perf_env) END SUBROUTINE mp_perf_env_release SUBROUTINE mp_perf_env_retain(perf_env) TYPE(mp_perf_env_type), POINTER :: perf_env IF (.NOT. ASSOCIATED(perf_env)) THEN DBCSR_ABORT("unassociated perf_env: mpiwrap @ mp_perf_env_retain") END IF IF (perf_env%ref_count < 1) THEN DBCSR_ABORT("invalid ref_count: mpiwrap @ mp_perf_env_retain") END IF perf_env%ref_count = perf_env%ref_count + 1 END SUBROUTINE mp_perf_env_retain !.. reports the performance counters for the MPI run SUBROUTINE mp_perf_env_describe(perf_env, iw) TYPE(mp_perf_env_type), POINTER :: perf_env INTEGER, INTENT(IN) :: iw #if defined(__parallel) INTEGER :: i REAL(KIND=dp) :: vol #endif IF (.NOT. ASSOCIATED(perf_env)) THEN DBCSR_ABORT("unassociated perf_env : mpiwrap @ mp_perf_env_describe") END IF IF (perf_env%ref_count < 1) THEN DBCSR_ABORT("invalid perf_env%ref_count : mpiwrap @ mp_perf_env_describe") END IF #if defined(__parallel) IF (iw > 0) THEN WRITE (iw, '( " -", 77X, "-" )') WRITE (iw, '( " -", 21X, A, 21X, "-" )') ' DBCSR MESSAGE PASSING PERFORMANCE ' WRITE (iw, '( " -", 77X, "-" )') WRITE (iw, '( 1X, 79("-"))') WRITE (iw, '( A, A, A )') ' ROUTINE', ' CALLS ', & ' AVE VOLUME [Bytes]' DO i = 1, MAX_PERF IF (perf_env%mp_perfs(i)%count > 0) THEN vol = perf_env%mp_perfs(i)%msg_size/REAL(perf_env%mp_perfs(i)%count, KIND=dp) IF (vol < 1.0_dp) THEN WRITE (iw, '(1X,A15,T17,I10)') & ADJUSTL(perf_env%mp_perfs(i)%name), perf_env%mp_perfs(i)%count ELSE WRITE (iw, '(1X,A15,T17,I10,T40,F11.0)') & ADJUSTL(perf_env%mp_perfs(i)%name), perf_env%mp_perfs(i)%count, & vol END IF END IF END DO WRITE (iw, '( 1X, 79("-"))') END IF #else MARK_USED(iw) #endif END SUBROUTINE mp_perf_env_describe SUBROUTINE rm_mp_perf_env() IF (stack_pointer < 1) THEN DBCSR_ABORT("no perf_env in the stack : mpiwrap @ rm_mp_perf_env") END IF CALL mp_perf_env_release(mp_perf_stack(stack_pointer)%mp_perf_env) stack_pointer = stack_pointer - 1 END SUBROUTINE rm_mp_perf_env PURE FUNCTION has_mp_perf_env() RESULT(res) LOGICAL :: res res = .FALSE. IF (stack_pointer < 1) RETURN IF (.NOT. ASSOCIATED(mp_perf_stack(stack_pointer)%mp_perf_env)) RETURN res = .TRUE. END FUNCTION has_mp_perf_env FUNCTION get_mp_perf_env() RESULT(res) TYPE(mp_perf_env_type), POINTER :: res IF (stack_pointer < 1) THEN DBCSR_ABORT("no perf_env in the stack : mpiwrap @ get_mp_perf_env") END IF res => mp_perf_stack(stack_pointer)%mp_perf_env END FUNCTION get_mp_perf_env SUBROUTINE describe_mp_perf_env(scr) INTEGER, INTENT(in) :: scr TYPE(mp_perf_env_type), POINTER :: perf_env perf_env => get_mp_perf_env() CALL mp_perf_env_describe(perf_env, scr) END SUBROUTINE describe_mp_perf_env #if defined(__parallel) SUBROUTINE add_perf(perf_id, msg_size) !! adds the performance informations of one call INTEGER, INTENT(in) :: perf_id INTEGER, INTENT(in) :: msg_size TYPE(mp_perf_type), POINTER :: mp_perf IF (stack_pointer < 1) return IF (.NOT. ASSOCIATED(mp_perf_stack(stack_pointer)%mp_perf_env)) return mp_perf => mp_perf_stack(stack_pointer)%mp_perf_env%mp_perfs(perf_id) mp_perf%count = mp_perf%count + 1 mp_perf%msg_size = mp_perf%msg_size + REAL(msg_size, dp) END SUBROUTINE add_perf #endif SUBROUTINE mp_abort() !! globally stops all tasks !! this is intended to be low level, most of CP2K should call dbcsr_abort() INTEGER :: ierr ierr = 0 #if !defined(__NO_ABORT) #if defined(__parallel) CALL mpi_abort(MPI_COMM_WORLD, 1, ierr) #else CALL m_abort() #endif #endif ! this routine never returns and levels with non-zero exit code STOP 1 END SUBROUTINE mp_abort SUBROUTINE mp_stop(ierr, prg_code) !! stops *after an mpi error* translating the error code !! @note !! this function is private to mpiwrap.F INTEGER, INTENT(IN) :: ierr !! an error code * returned by an mpi call * CHARACTER(LEN=*) :: prg_code #if defined(__parallel) INTEGER :: istat, len CHARACTER(LEN=MPI_MAX_ERROR_STRING) :: error_string CHARACTER(LEN=MPI_MAX_ERROR_STRING + 512) :: full_error #else CHARACTER(LEN=512) :: full_error #endif #if defined(__parallel) CALL mpi_error_string(ierr, error_string, len, istat) WRITE (full_error, '(A,I0,A)') ' MPI error ', ierr, ' in '//TRIM(prg_code)//' : '//error_string(1:len) #else WRITE (full_error, '(A,I0,A)') ' MPI error (!?) ', ierr, ' in '//TRIM(prg_code) #endif DBCSR_ABORT(full_error) END SUBROUTINE mp_stop SUBROUTINE mp_sync(group) !! synchronizes with a barrier a given group of mpi tasks TYPE(mp_comm_type), INTENT(IN) :: group !! mpi communicator CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sync' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_barrier(group%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_barrier @ "//routineN) #else MARK_USED(group) #endif CALL timestop(handle) END SUBROUTINE mp_sync SUBROUTINE mp_isync(group, request) !! synchronizes with a barrier a given group of mpi tasks TYPE(mp_comm_type), INTENT(IN) :: group !! mpi communicator TYPE(mp_request_type), INTENT(OUT) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_isync' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_ibarrier(group%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_ibarrier @ "//routineN) #else MARK_USED(group) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_isync RECURSIVE SUBROUTINE mp_environ_l(numtask, taskid, groupid) !! returns number of tasks and task id for a given mpi group !! simple and cartesian version.. recursive needed in case of failing mpi_comm_rank. !! @note !! ..mp_world_setup is gone, use mp_environ instead (i.e. give a groupid explicitly) INTEGER, OPTIONAL, INTENT(OUT) :: numtask, taskid TYPE(mp_comm_type), INTENT(IN) :: groupid !! mpi communicator INTEGER :: ierr ierr = 0 IF (PRESENT(numtask)) numtask = 1 IF (PRESENT(taskid)) taskid = 0 #if defined(__parallel) IF (PRESENT(taskid)) THEN CALL mpi_comm_rank(groupid%handle, taskid, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_rank @ mp_environ_l") END IF IF (PRESENT(numtask)) THEN CALL mpi_comm_size(groupid%handle, numtask, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_size @ mp_environ_l") END IF #else MARK_USED(groupid) #endif END SUBROUTINE mp_environ_l SUBROUTINE mp_environ_c(numtask, dims, task_coor, groupid) INTEGER, INTENT(OUT) :: numtask, dims(2), & task_coor(2) TYPE(mp_comm_type), INTENT(IN) :: groupid INTEGER :: ierr #if defined(__parallel) LOGICAL, DIMENSION(2) :: periods #endif ierr = 0 numtask = 1 task_coor = 0 dims = 1 #if defined(__parallel) CALL mpi_comm_size(groupid%handle, numtask, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_size @ mp_environ_c") CALL mpi_cart_get(groupid%handle, 2, dims, periods, task_coor, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_cart_get @ mp_environ_c") #else MARK_USED(groupid) #endif END SUBROUTINE mp_environ_c SUBROUTINE mp_environ_c2(comm, ndims, dims, task_coor, periods) TYPE(mp_comm_type), INTENT(IN) :: comm INTEGER, INTENT(IN) :: ndims INTEGER, INTENT(OUT) :: dims(ndims), task_coor(ndims) LOGICAL, INTENT(out) :: periods(ndims) INTEGER :: ierr ierr = 0 task_coor = 0 dims = 1 periods = .FALSE. #if defined(__parallel) CALL mpi_cart_get(comm%handle, ndims, dims, periods, task_coor, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_cart_get @ mp_environ_c") #else MARK_USED(comm) #endif END SUBROUTINE mp_environ_c2 !..mp_cart_create SUBROUTINE mp_cart_create(comm_old, ndims, dims, pos, comm_cart) TYPE(mp_comm_type), INTENT(IN) :: comm_old INTEGER, INTENT(IN) :: ndims INTEGER, CONTIGUOUS, INTENT(INOUT) :: dims(:) INTEGER, CONTIGUOUS, INTENT(OUT) :: pos(:) TYPE(mp_comm_type), INTENT(OUT) :: comm_cart CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_cart_create' INTEGER :: handle, ierr, nodes #if defined(__parallel) LOGICAL, DIMENSION(1:ndims) :: period LOGICAL :: reorder #endif ierr = 0 CALL timeset(routineN, handle) nodes = 0 pos(1:ndims) = -1 comm_cart = comm_old #if defined(__parallel) CALL mpi_comm_size(comm_old%handle, nodes, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_size @ "//routineN) IF (ANY(dims == 0)) CALL mpi_dims_create(nodes, ndims, dims, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_dims_create @ "//routineN) ! FIX ME. Quick hack to avoid problems with realspace grids for compilers ! like IBM that actually reorder the processors when creating the new ! communicator reorder = .FALSE. period = .TRUE. CALL mpi_cart_create(comm_old%handle, ndims, dims, period, reorder, comm_cart%handle, & ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_cart_create @ "//routineN) IF (comm_cart /= MP_COMM_NULL) THEN debug_comm_count = debug_comm_count + 1 CALL mpi_cart_get(comm_cart%handle, ndims, dims, period, pos, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_cart_get @ "//routineN) END IF #else pos(1:ndims) = 0 dims = 1 comm_cart = mp_comm_self #endif CALL timestop(handle) END SUBROUTINE mp_cart_create !..mp_cart_coords SUBROUTINE mp_cart_coords(comm, rank, coords) TYPE(mp_comm_type), INTENT(IN) :: comm INTEGER, INTENT(IN) :: rank INTEGER, DIMENSION(:), CONTIGUOUS, INTENT(OUT) :: coords INTEGER :: ierr, m ierr = 0 m = SIZE(coords) #if defined(__parallel) CALL mpi_cart_coords(comm%handle, rank, m, coords, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_cart_coords @ mp_cart_coords") #else coords = 0 MARK_USED(rank) MARK_USED(comm) #endif END SUBROUTINE mp_cart_coords !..mp_comm_compare SUBROUTINE mp_comm_compare(comm1, comm2, res) TYPE(mp_comm_type), INTENT(IN) :: comm1, comm2 INTEGER, INTENT(OUT) :: res CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_comm_compare' INTEGER :: handle, ierr, iout ierr = 0 CALL timeset(routineN, handle) iout = 0 res = 0 #if defined(__parallel) CALL mpi_comm_compare(comm1%handle, comm2%handle, iout, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_compare @ "//routineN) SELECT CASE (iout) CASE (MPI_IDENT) res = 0 CASE (MPI_CONGRUENT) res = 1 CASE (MPI_SIMILAR) res = 2 CASE (MPI_UNEQUAL) res = 3 CASE default res = 4 END SELECT #else MARK_USED(comm1) MARK_USED(comm2) #endif CALL timestop(handle) END SUBROUTINE mp_comm_compare !..mp_cart_sub SUBROUTINE mp_cart_sub(comm, rdim, sub_comm) TYPE(mp_comm_type), INTENT(IN) :: comm LOGICAL, DIMENSION(:), CONTIGUOUS, INTENT(IN) :: rdim TYPE(mp_comm_type), INTENT(OUT) :: sub_comm CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_cart_sub' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) sub_comm = comm #if defined(__parallel) CALL mpi_cart_sub(comm%handle, rdim, sub_comm%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_cart_sub @ "//routineN) debug_comm_count = debug_comm_count + 1 #else MARK_USED(comm) MARK_USED(rdim) #endif CALL timestop(handle) END SUBROUTINE mp_cart_sub !..mp_comm_free SUBROUTINE mp_comm_free(comm) TYPE(mp_comm_type), INTENT(INOUT) :: comm CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_comm_free' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_comm_free(comm%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_free @ "//routineN) debug_comm_count = debug_comm_count - 1 #else MARK_USED(comm) #endif CALL timestop(handle) END SUBROUTINE mp_comm_free !..mp_comm_dup SUBROUTINE mp_comm_dup(comm1, comm2) TYPE(mp_comm_type), INTENT(IN) :: comm1 TYPE(mp_comm_type), INTENT(OUT) :: comm2 CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_comm_dup' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_comm_dup(comm1%handle, comm2%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_dup @ "//routineN) debug_comm_count = debug_comm_count + 1 #else comm2 = comm1 #endif CALL timestop(handle) END SUBROUTINE mp_comm_dup !..mp_rank_compare SUBROUTINE mp_rank_compare(comm1, comm2, rank) TYPE(mp_comm_type), INTENT(IN) :: comm1, comm2 INTEGER, DIMENSION(:), CONTIGUOUS, INTENT(OUT) :: rank CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_rank_compare' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: i, n, n1, n2 INTEGER, ALLOCATABLE, DIMENSION(:) :: rin MPI_GROUP_TYPE :: g1, g2 #endif ierr = 0 CALL timeset(routineN, handle) rank = 0 #if defined(__parallel) CALL mpi_comm_size(comm1%handle, n1, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_size @ "//routineN) CALL mpi_comm_size(comm2%handle, n2, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_size @ "//routineN) n = MAX(n1, n2) CALL mpi_comm_group(comm1%handle, g1, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_group @ "//routineN) CALL mpi_comm_group(comm2%handle, g2, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_group @ "//routineN) ALLOCATE (rin(0:n - 1), STAT=ierr) IF (ierr /= 0) & DBCSR_ABORT("allocate @ "//routineN) DO i = 0, n - 1 rin(i) = i END DO CALL mpi_group_translate_ranks(g1, n, rin, g2, rank, ierr) IF (ierr /= 0) CALL mp_stop(ierr, & "mpi_group_translate_rank @ "//routineN) CALL mpi_group_free(g1, ierr) IF (ierr /= 0) & DBCSR_ABORT("group_free @ "//routineN) CALL mpi_group_free(g2, ierr) IF (ierr /= 0) & DBCSR_ABORT("group_free @ "//routineN) DEALLOCATE (rin) #else MARK_USED(comm1) MARK_USED(comm2) #endif CALL timestop(handle) END SUBROUTINE mp_rank_compare !..mp_dims_create SUBROUTINE mp_dims_create(nodes, dims) INTEGER, INTENT(IN) :: nodes INTEGER, DIMENSION(:), CONTIGUOUS, INTENT(INOUT) :: dims CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_dims_create' INTEGER :: handle, ierr, ndim ierr = 0 CALL timeset(routineN, handle) ndim = SIZE(dims) #if defined(__parallel) IF (ANY(dims == 0)) CALL mpi_dims_create(nodes, ndim, dims, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_dims_create @ "//routineN) #else dims = 1 MARK_USED(nodes) #endif CALL timestop(handle) END SUBROUTINE mp_dims_create !..mp_cart_rank SUBROUTINE mp_cart_rank(group, pos, rank) TYPE(mp_comm_type), INTENT(IN) :: group INTEGER, DIMENSION(:), CONTIGUOUS, INTENT(IN) :: pos INTEGER, INTENT(OUT) :: rank INTEGER :: ierr ierr = 0 #if defined(__parallel) CALL mpi_cart_rank(group%handle, pos, rank, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_cart_rank @ mp_cart_rank") #else rank = 0 MARK_USED(group) MARK_USED(pos) #endif END SUBROUTINE mp_cart_rank SUBROUTINE mp_wait(request) !! waits for completion of the given request !! @note !! see isendrecv TYPE(mp_request_type), INTENT(inout) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_wait' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_wait(request%handle, MPI_STATUS_IGNORE, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_wait @ "//routineN) #else MARK_USED(request) #endif CALL timestop(handle) END SUBROUTINE mp_wait SUBROUTINE mp_waitall_1(requests) !! waits for completion of the given requests !! @note !! see isendrecv TYPE(mp_request_type), DIMENSION(:), INTENT(inout) :: requests CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_waitall_1' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: count MPI_STATUS_TYPE_ARRAY(SIZE(requests)) :: status #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) count = SIZE(requests) CALL mpi_waitall_internal(count, requests, status, ierr) ! MPI_STATUSES_IGNORE openmpi workaround IF (ierr /= 0) CALL mp_stop(ierr, "mpi_waitall @ "//routineN) #else MARK_USED(requests) #endif CALL timestop(handle) END SUBROUTINE mp_waitall_1 SUBROUTINE mp_waitall_2(requests) !! waits for completion of the given requests TYPE(mp_request_type), DIMENSION(:, :), INTENT(inout) :: requests CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_waitall_2' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: count MPI_STATUS_TYPE_ARRAY(SIZE(requests)) :: status #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) count = SIZE(requests) CALL mpi_waitall_internal(count, requests, status, ierr) ! MPI_STATUSES_IGNORE openmpi workaround IF (ierr /= 0) CALL mp_stop(ierr, "mpi_waitall @ "//routineN) #else MARK_USED(requests) #endif CALL timestop(handle) END SUBROUTINE mp_waitall_2 #if defined(__parallel) SUBROUTINE mpi_waitall_internal(count, array_of_requests, array_of_statuses, ierr) !! wrapper needed to deal with interfaces as present in openmpi 1.8.1 !! the issue is with the rank or requests INTEGER, INTENT(in) :: count TYPE(mp_request_type), DIMENSION(count), INTENT(inout) :: array_of_requests MPI_STATUS_TYPE_ARRAY(*), INTENT(inout) :: array_of_statuses INTEGER, INTENT(out) :: ierr INTEGER :: i MPI_REQUEST_TYPE, DIMENSION(count) :: request_handles DO i = 1, count request_handles(i) = array_of_requests(i)%handle END DO CALL mpi_waitall(count, request_handles, array_of_statuses, ierr) DO i = 1, count array_of_requests(i)%handle = request_handles(i) END DO END SUBROUTINE mpi_waitall_internal #endif SUBROUTINE mp_waitany(requests, completed) !! waits for completion of any of the given requests TYPE(mp_request_type), DIMENSION(:), INTENT(inout) :: requests INTEGER, INTENT(out) :: completed CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_waitany' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: count, i MPI_REQUEST_TYPE, DIMENSION(SIZE(requests)) :: request_handles #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) count = SIZE(requests) DO i = 1, count request_handles(i) = requests(i)%handle END DO CALL mpi_waitany(count, request_handles, completed, MPI_STATUS_IGNORE, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_waitany @ "//routineN) DO i = 1, count requests(i)%handle = request_handles(i) END DO #else MARK_USED(requests) completed = 1 #endif CALL timestop(handle) END SUBROUTINE mp_waitany FUNCTION mp_testall_tv(requests) RESULT(flag) !! Tests for completion of the given requests. !! We use mpi_test so that we can use a single status. TYPE(mp_request_type), DIMENSION(:) :: requests !! the list of requests to test LOGICAL :: flag !! logical which determines if requests are complete INTEGER :: ierr #if defined(__parallel) INTEGER :: i LOGICAL, DIMENSION(:), ALLOCATABLE :: flags #endif ierr = 0 flag = .TRUE. #if defined(__parallel) ALLOCATE (flags(SIZE(requests))) DO i = 1, SIZE(requests) CALL mpi_test(requests(i)%handle, flags(i), MPI_STATUS_IGNORE, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_test @ mp_testall_tv") flag = flag .AND. flags(i) END DO DEALLOCATE (flags) #else requests = mp_request_null #endif END FUNCTION mp_testall_tv SUBROUTINE mp_test_1(request, flag) !! Tests for completion of the given request. TYPE(mp_request_type), INTENT(inout) :: request !! the request LOGICAL, INTENT(out) :: flag !! logical which determines if the request is completed INTEGER :: ierr ierr = 0 #if defined(__parallel) CALL mpi_test(request%handle, flag, MPI_STATUS_IGNORE, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_test @ mp_test_1") #else MARK_USED(request) flag = .TRUE. #endif END SUBROUTINE mp_test_1 SUBROUTINE mp_testany_1(requests, completed, flag) !! tests for completion of the given requests TYPE(mp_request_type), DIMENSION(:), INTENT(inout) :: requests INTEGER, INTENT(out), OPTIONAL :: completed LOGICAL, INTENT(out), OPTIONAL :: flag INTEGER :: ierr #if defined(__parallel) INTEGER :: completed_l, count LOGICAL :: flag_l #endif ierr = 0 #if defined(__parallel) count = SIZE(requests) CALL mpi_testany_internal(count, requests, completed_l, flag_l, MPI_STATUS_IGNORE, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_testany_1 @ mp_testany") IF (PRESENT(completed)) completed = completed_l IF (PRESENT(flag)) flag = flag_l #else MARK_USED(requests) IF (PRESENT(completed)) completed = 1 IF (PRESENT(flag)) flag = .TRUE. #endif END SUBROUTINE mp_testany_1 SUBROUTINE mp_testany_2(requests, completed, flag) !! tests for completion of the given requests TYPE(mp_request_type), DIMENSION(:, :), INTENT(inout) :: requests INTEGER, INTENT(out), OPTIONAL :: completed LOGICAL, INTENT(out), OPTIONAL :: flag INTEGER :: ierr #if defined(__parallel) INTEGER :: completed_l, count LOGICAL :: flag_l #endif ierr = 0 #if defined(__parallel) count = SIZE(requests) CALL mpi_testany_internal(count, requests, completed_l, flag_l, MPI_STATUS_IGNORE, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_testany_2 @ mp_testany") IF (PRESENT(completed)) completed = completed_l IF (PRESENT(flag)) flag = flag_l #else MARK_USED(requests) IF (PRESENT(completed)) completed = 1 IF (PRESENT(flag)) flag = .TRUE. #endif END SUBROUTINE mp_testany_2 #if defined(__parallel) SUBROUTINE mpi_testany_internal(count, array_of_requests, index, flag, status, ierr) !! wrapper needed to deal with interfaces as present in openmpi 1.8.1 !! the issue is with the rank or requests INTEGER, INTENT(in) :: count TYPE(mp_request_type), DIMENSION(count), INTENT(inout) :: array_of_requests INTEGER, INTENT(out) :: index LOGICAL, INTENT(out) :: flag MPI_STATUS_TYPE :: status INTEGER, INTENT(out) :: ierr INTEGER :: i MPI_REQUEST_TYPE, DIMENSION(count) :: request_handles DO i = 1, count request_handles(i) = array_of_requests(i)%handle END DO CALL mpi_testany(count, request_handles, index, flag, status, ierr) DO i = 1, count array_of_requests(i)%handle = request_handles(i) END DO END SUBROUTINE mpi_testany_internal #endif SUBROUTINE mp_comm_split_direct(comm, sub_comm, color, key) !! the direct way to split a communicator each color is a sub_comm, !! the rank order is accoring to the order in the orig comm TYPE(mp_comm_type), INTENT(in) :: comm TYPE(mp_comm_type), INTENT(OUT) :: sub_comm INTEGER, INTENT(in) :: color INTEGER, INTENT(in), OPTIONAL :: key CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_comm_split_direct' INTEGER :: handle, ierr, my_key ierr = 0 CALL timeset(routineN, handle) my_key = 0 #if defined(__parallel) IF (PRESENT(key)) my_key = key CALL mpi_comm_split(comm%handle, color, my_key, sub_comm%handle, ierr) debug_comm_count = debug_comm_count + 1 IF (ierr /= mpi_success) CALL mp_stop(ierr, routineN) #else CALL mp_comm_dup(comm, sub_comm) MARK_USED(color) MARK_USED(key) #endif CALL timestop(handle) END SUBROUTINE mp_comm_split_direct SUBROUTINE mp_comm_split(comm, sub_comm, ngroups, group_distribution, & subgroup_min_size, n_subgroups, group_partition, stride) !! splits the given communicator in group in subgroups trying to organize !! them in a way that the communication within each subgroup is !! efficient (but not necessarily the communication between subgroups) !! @note !! at least one of subgroup_min_size and n_subgroups is needed, !! the other default to the value needed to use most processors. !! if less cpus are present than needed for subgroup min size, n_subgroups, !! just one comm is created that contains all cpus TYPE(mp_comm_type), INTENT(in) :: comm !! the mpi communicator that you want to split TYPE(mp_comm_type), INTENT(out) :: sub_comm !! the communicator for the subgroup (created, needs to be freed later) INTEGER, INTENT(out) :: ngroups !! actual number of groups INTEGER, DIMENSION(0:) :: group_distribution !! input : allocated with array with the nprocs entries (0 .. nprocs-1) INTEGER, INTENT(in), OPTIONAL :: subgroup_min_size, n_subgroups !! the minimum size of the subgroup !! the number of subgroups wanted INTEGER, DIMENSION(0:), OPTIONAL :: group_partition !! n_subgroups sized array containing the number of cpus wanted per group. should match the total number of cpus (only used !! if present and associated) (0..ngroups-1) INTEGER, OPTIONAL :: stride !! create groups using a stride (default=1) through the ranks of the comm to be split. CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_comm_split', routineP = moduleN//':'//routineN INTEGER :: handle, ierr, mepos, nnodes #if defined(__parallel) INTEGER :: color, i, j, k, & my_subgroup_min_size, & istride, local_stride, irank INTEGER, DIMENSION(:), ALLOCATABLE :: rank_permutation #endif ierr = 0 CALL timeset(routineN, handle) ! actual number of groups IF (.NOT. PRESENT(subgroup_min_size) .AND. .NOT. PRESENT(n_subgroups)) THEN DBCSR_ABORT(routineP//" missing arguments") END IF IF (PRESENT(subgroup_min_size) .AND. PRESENT(n_subgroups)) THEN DBCSR_ABORT(routineP//" too many arguments") END IF CALL mp_environ(nnodes, mepos, comm) IF (UBOUND(group_distribution, 1) .NE. nnodes - 1) THEN DBCSR_ABORT(routineP//" group_distribution wrong bounds") END IF #if defined(__parallel) IF (PRESENT(subgroup_min_size)) THEN IF (subgroup_min_size < 0 .OR. subgroup_min_size > nnodes) THEN DBCSR_ABORT(routineP//" subgroup_min_size too small or too large") END IF ngroups = nnodes/subgroup_min_size my_subgroup_min_size = subgroup_min_size ELSE ! n_subgroups IF (n_subgroups <= 0) THEN DBCSR_ABORT(routineP//" n_subgroups too small") END IF IF (nnodes/n_subgroups > 0) THEN ! we have a least one cpu per group ngroups = n_subgroups ELSE ! well, only one group then ngroups = 1 END IF my_subgroup_min_size = nnodes/ngroups END IF ! rank_permutation: is a permutation of ranks, so that groups are not necessarily continuous in rank of the master group ! while the order is not critical (we only color ranks), it can e.g. be used to make groups that have just 1 rank per node ! (by setting stride equal to the number of mpi ranks per node), or by sharing a node between two groups (stride 2). ALLOCATE (rank_permutation(0:nnodes - 1)) local_stride = 1 IF (PRESENT(stride)) local_stride = stride k = 0 DO istride = 1, local_stride DO irank = istride - 1, nnodes - 1, local_stride rank_permutation(k) = irank k = k + 1 END DO END DO DO i = 0, nnodes - 1 group_distribution(rank_permutation(i)) = MIN(i/my_subgroup_min_size, ngroups - 1) END DO ! even the user gave a partition, see if we can use it to overwrite this choice IF (PRESENT(group_partition)) THEN IF (ALL(group_partition > 0) .AND. (SUM(group_partition) .EQ. nnodes) .AND. (ngroups == SIZE(group_partition))) THEN k = 0 DO i = 0, SIZE(group_partition) - 1 DO j = 1, group_partition(i) group_distribution(rank_permutation(k)) = i k = k + 1 END DO END DO ELSE ! just ignore silently as we have reasonable defaults. Probably a warning would not be to bad END IF END IF color = group_distribution(mepos) CALL mpi_comm_split(comm%handle, color, 0, sub_comm%handle, ierr) debug_comm_count = debug_comm_count + 1 IF (ierr /= mpi_success) CALL mp_stop(ierr, "in "//routineP//" split") #else CALL mp_comm_dup(comm, sub_comm) group_distribution(0) = 0 ngroups = 1 MARK_USED(stride) MARK_USED(group_partition) #endif CALL timestop(handle) END SUBROUTINE mp_comm_split SUBROUTINE mp_probe(source, comm, tag) !! probes for an incoming message with any tag INTEGER :: source !! the source of the possible incoming message, if MP_ANY_SOURCE it is a blocking one and return value is the source of the !! next incoming message if source is a different value it is a non-blocking probe retuning MP_ANY_SOURCE if there is no !! incoming message TYPE(mp_comm_type), INTENT(IN) :: comm !! the communicator INTEGER, INTENT(OUT) :: tag !! the tag of the incoming message CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_probe' INTEGER :: handle, ierr #if defined(__parallel) MPI_STATUS_TYPE :: status_single LOGICAL :: flag #endif ! --------------------------------------------------------------------------- CALL timeset(routineN, handle) ierr = 0 #if defined(__parallel) IF (source .EQ. mp_any_source) THEN CALL mpi_probe(mp_any_source, mp_any_tag, comm%handle, status_single, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_probe @ "//routineN) source = status_single MPI_STATUS_EXTRACT(MPI_SOURCE) tag = status_single MPI_STATUS_EXTRACT(MPI_TAG) ELSE flag = .FALSE. CALL mpi_iprobe(source, mp_any_tag, comm%handle, flag, status_single, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_iprobe @ "//routineN) IF (flag .EQV. .FALSE.) THEN source = mp_any_source tag = -1 !status_single MPI_STATUS_EXTRACT(MPI_TAG) ! in case of flag==false status is undefined ELSE tag = status_single MPI_STATUS_EXTRACT(MPI_TAG) END IF END IF #else tag = -1 MARK_USED(comm) MARK_USED(source) #endif CALL timestop(handle) END SUBROUTINE mp_probe ! ************************************************************************************************** ! Here come the data routines with none of the standard data types. ! ************************************************************************************************** SUBROUTINE mp_bcast_b(msg, source, gid) LOGICAL :: msg INTEGER :: source TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_bcast_b' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_bcast(msg, msglen, MPI_LOGICAL, source, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_bcast @ "//routineN) CALL add_perf(perf_id=2, msg_size=msglen*loglen) #else MARK_USED(msg) MARK_USED(source) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_bcast_b SUBROUTINE mp_bcast_bv(msg, source, gid) LOGICAL, CONTIGUOUS :: msg(:) INTEGER :: source TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_bcast_bv' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_bcast(msg, msglen, MPI_LOGICAL, source, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_bcast @ "//routineN) CALL add_perf(perf_id=2, msg_size=msglen*loglen) #else MARK_USED(source) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_bcast_bv SUBROUTINE mp_isend_bv(msgin, dest, comm, request, tag) !! Non-blocking send of logical vector data !! @note see mp_irecv_iv !! @endnote !! @note !! arrays can be pointers or assumed shape, but they must be contiguous! LOGICAL, DIMENSION(:), CONTIGUOUS :: msgin !! the input message INTEGER, INTENT(IN) :: dest !! the destination processor TYPE(mp_comm_type), INTENT(IN) :: comm !! the communicator object TYPE(mp_request_type), INTENT(out) :: request !! communication request index INTEGER, INTENT(in), OPTIONAL :: tag !! message tag CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_isend_bv' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen, my_tag LOGICAL :: foo(1) #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) my_tag = 0 IF (PRESENT(tag)) my_tag = tag msglen = SIZE(msgin, 1) IF (msglen > 0) THEN CALL mpi_isend(msgin, msglen, MPI_LOGICAL, dest, my_tag, & comm%handle, request%handle, ierr) ELSE CALL mpi_isend(foo, msglen, MPI_LOGICAL, dest, my_tag, & comm%handle, request%handle, ierr) END IF IF (ierr /= 0) CALL mp_stop(ierr, "mpi_isend @ "//routineN) CALL add_perf(perf_id=11, msg_size=msglen*loglen) #else DBCSR_ABORT("mp_isend called in non parallel case") MARK_USED(msgin) MARK_USED(dest) MARK_USED(comm) MARK_USED(request) MARK_USED(tag) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_isend_bv SUBROUTINE mp_irecv_bv(msgout, source, comm, request, tag) !! Non-blocking receive of logical vector data !! @note see mp_irecv_iv !! @endnote !! @note !! arrays can be pointers or assumed shape, but they must be contiguous! LOGICAL, DIMENSION(:), CONTIGUOUS :: msgout !! the received message INTEGER, INTENT(IN) :: source !! the source processor TYPE(mp_comm_type), INTENT(IN) :: comm !! the communicator object TYPE(mp_request_type), INTENT(out) :: request !! communication request index INTEGER, INTENT(in), OPTIONAL :: tag !! message tag CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_irecv_bv' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen, my_tag LOGICAL :: foo(1) #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) my_tag = 0 IF (PRESENT(tag)) my_tag = tag msglen = SIZE(msgout, 1) IF (msglen > 0) THEN CALL mpi_irecv(msgout, msglen, MPI_LOGICAL, source, my_tag, & comm%handle, request%handle, ierr) ELSE CALL mpi_irecv(foo, msglen, MPI_LOGICAL, source, my_tag, & comm%handle, request%handle, ierr) END IF IF (ierr /= 0) CALL mp_stop(ierr, "mpi_ircv @ "//routineN) CALL add_perf(perf_id=12, msg_size=msglen*loglen) #else DBCSR_ABORT("mp_irecv called in non parallel case") MARK_USED(msgout) MARK_USED(source) MARK_USED(comm) MARK_USED(request) MARK_USED(tag) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_irecv_bv SUBROUTINE mp_bcast_av(msg, source, gid) CHARACTER(LEN=*) :: msg INTEGER :: source TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_bcast_av' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: i, msglen, numtask, taskid INTEGER, DIMENSION(:), ALLOCATABLE :: imsg #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mp_environ(numtask, taskid, gid) IF (taskid == source) msglen = LEN_TRIM(msg) CALL mp_bcast(msglen, source, gid) ! this is a workaround to avoid problems on the T3E ! at the moment we have a data alignment error when trying to ! broadcast characters on the T3E (not always!) ! JH 19/3/99 on galileo ! CALL mpi_bcast(msg,msglen,MPI_CHARACTER,source,gid,ierr) ALLOCATE (imsg(1:msglen)) DO i = 1, msglen imsg(i) = ICHAR(msg(i:i)) END DO CALL mpi_bcast(imsg, msglen, MPI_INTEGER, source, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_bcast @ "//routineN) msg = "" DO i = 1, msglen msg(i:i) = CHAR(imsg(i)) END DO DEALLOCATE (imsg) CALL add_perf(perf_id=2, msg_size=msglen*charlen) #else MARK_USED(msg) MARK_USED(source) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_bcast_av SUBROUTINE mp_bcast_am(msg, source, gid) CHARACTER(LEN=*) :: msg(:) INTEGER :: source TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_bcast_am' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: i, j, k, msglen, msgsiz, & numtask, taskid INTEGER, ALLOCATABLE :: imsg(:), imsglen(:) #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mp_environ(numtask, taskid, gid) msgsiz = SIZE(msg) ! Determine size of the minimum array of integers to broadcast the string ALLOCATE (imsglen(1:msgsiz)) DO j = 1, msgsiz IF (taskid == source) imsglen(j) = LEN_TRIM(msg(j)) END DO CALL mp_bcast(imsglen, source, gid) msglen = SUM(imsglen) ! this is a workaround to avoid problems on the T3E ! at the moment we have a data alignment error when trying to ! broadcast characters on the T3E (not always!) ! JH 19/3/99 on galileo ! CALL mpi_bcast(msg,msglen,MPI_CHARACTER,source,gid,ierr) ALLOCATE (imsg(1:msglen)) k = 0 DO j = 1, msgsiz DO i = 1, imsglen(j) k = k + 1 imsg(k) = ICHAR(msg(j) (i:i)) END DO END DO CALL mpi_bcast(imsg, msglen, MPI_INTEGER, source, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_bcast @ "//routineN) msg = "" k = 0 DO j = 1, msgsiz DO i = 1, imsglen(j) k = k + 1 msg(j) (i:i) = CHAR(imsg(k)) END DO END DO DEALLOCATE (imsg) DEALLOCATE (imsglen) CALL add_perf(perf_id=2, msg_size=msglen*charlen*msgsiz) #else MARK_USED(msg) MARK_USED(source) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_bcast_am SUBROUTINE mp_minloc_dv(msg, gid) !! Finds the location of the minimal element in a vector. !! !! MPI mapping !! mpi_allreduce with the MPI_MINLOC reduction function identifier !! !! Invalid data types !! This routine is invalid for (int_8) data! REAL(kind=real_8), CONTIGUOUS, INTENT(INOUT) :: msg(:) !! Find location of maximum element among these data (input). TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_minloc_dv' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen REAL(kind=real_8), ALLOCATABLE :: res(:) #endif ierr = 0 IF ("d" .EQ. "l" .AND. real_8 .EQ. int_8) THEN DBCSR_ABORT("Minimal location not available with long integers @ "//routineN) END IF CALL timeset(routineN, handle) #if defined(__parallel) msglen = SIZE(msg) ALLOCATE (res(1:msglen), STAT=ierr) IF (ierr /= 0) & DBCSR_ABORT("allocate @ "//routineN) CALL mpi_allreduce(msg, res, msglen/2, MPI_2DOUBLE_PRECISION, MPI_MINLOC, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) msg = res DEALLOCATE (res) CALL add_perf(perf_id=3, msg_size=msglen*real_8_size) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_minloc_dv SUBROUTINE mp_maxloc_dv(msg, gid) !! Finds the location of the maximal element in a vector. !! !! MPI mapping !! mpi_allreduce with the MPI_MAXLOC reduction function identifier !! !! Invalid data types !! This routine is invalid for (int_8) data! REAL(kind=real_8), CONTIGUOUS, INTENT(INOUT) :: msg(:) !! Find location of maximum element among these data (input). TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_maxloc_dv' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen REAL(kind=real_8), ALLOCATABLE :: res(:) #endif ierr = 0 IF ("d" .EQ. "l" .AND. real_8 .EQ. int_8) THEN DBCSR_ABORT("Maximal location not available with long integers @ "//routineN) END IF CALL timeset(routineN, handle) #if defined(__parallel) msglen = SIZE(msg) ALLOCATE (res(1:msglen)) CALL mpi_allreduce(msg, res, msglen/2, MPI_2DOUBLE_PRECISION, MPI_MAXLOC, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) msg = res DEALLOCATE (res) CALL add_perf(perf_id=3, msg_size=msglen*real_8_size) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_maxloc_dv SUBROUTINE mp_sum_b(msg, gid) !! Logical OR reduction !! !! MPI mapping !! mpi_allreduce LOGICAL, INTENT(INOUT) :: msg !! Datum to perform inclusive disjunction (input) and resultant inclusive disjunction (output) TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_b' INTEGER :: handle, ierr, msglen CALL timeset(routineN, handle) ierr = 0 msglen = 1 #if defined(__parallel) CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_LOGICAL, MPI_LOR, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_b SUBROUTINE mp_sum_bv(msg, gid) !! Logical OR reduction !! !! MPI mapping !! mpi_allreduce LOGICAL, DIMENSION(:), CONTIGUOUS, INTENT(INOUT) :: msg !! Datum to perform inclusive disjunction (input) and resultant inclusive disjunction (output) TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_bv' INTEGER :: handle, ierr, msglen CALL timeset(routineN, handle) ierr = 0 msglen = SIZE(msg) #if defined(__parallel) IF (msglen .GT. 0) THEN CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_LOGICAL, MPI_LOR, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) END IF #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_bv SUBROUTINE mp_isum_bv(msg, gid, request) !! Logical OR reduction !! !! MPI mapping !! mpi_allreduce LOGICAL, DIMENSION(:), CONTIGUOUS, INTENT(INOUT) :: msg !! Datum to perform inclusive disjunction (input) and resultant inclusive disjunction (output) TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier TYPE(mp_request_type), INTENT(INOUT) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_isum_bv' INTEGER :: handle, ierr, msglen CALL timeset(routineN, handle) ierr = 0 msglen = SIZE(msg) #if defined(__parallel) IF (msglen .GT. 0) THEN CALL mpi_iallreduce(MPI_IN_PLACE, msg, msglen, MPI_LOGICAL, MPI_LOR, gid%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_iallreduce @ "//routineN) ELSE request = mp_request_null END IF #else MARK_USED(msg) MARK_USED(gid) MARK_USED(request) #endif CALL timestop(handle) END SUBROUTINE mp_isum_bv SUBROUTINE mp_get_library_version(version, resultlen) !! Get Version of the MPI Library (MPI 3) CHARACTER(LEN=*), INTENT(OUT) :: version !! Version of the library, declared as CHARACTER(LEN=mp_max_library_version_string) INTEGER, INTENT(OUT) :: resultlen !! Length (in printable characters) of the result returned in version (integer) #if defined(__parallel) CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_get_library_version' INTEGER :: ierr ierr = 0 CALL mpi_get_library_version(version, resultlen, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_get_library_version @ "//routineN) #else version = '' resultlen = 0 #endif END SUBROUTINE mp_get_library_version SUBROUTINE mp_get_processor_name(procname, resultlen) !! Get a unique specifier for the actual (as opposed to virtual) node (MPI 2.1) CHARACTER(LEN=*), INTENT(OUT) :: procname !! Name of processor INTEGER, OPTIONAL, INTENT(OUT) :: resultlen !! Length (in characters) of procname (INTEGER) #if defined(__parallel) INTEGER :: namelen, ierr CALL mpi_get_processor_name(procname, namelen, ierr) IF (ierr .EQ. 0) THEN IF (PRESENT(resultlen)) resultlen = namelen ELSE #endif CALL m_hostnm(procname) IF (PRESENT(resultlen)) resultlen = LEN_TRIM(procname) #if defined(__parallel) END IF #endif END SUBROUTINE mp_get_processor_name SUBROUTINE mp_file_open(groupid, fh, filepath, amode_status, info) !! Opens a file !! !! MPI-I/O mapping mpi_file_open !! !! STREAM-I/O mapping OPEN TYPE(mp_comm_type), INTENT(IN) :: groupid !! message passing environment identifier TYPE(mp_file_type), INTENT(OUT) :: fh !! file handle (file storage unit) CHARACTER(LEN=*), INTENT(IN) :: filepath !! path to the file INTEGER, INTENT(IN) :: amode_status !! access mode TYPE(mp_info_type), INTENT(IN), OPTIONAL :: info !! info object INTEGER :: ierr, istat #if defined(__parallel) MPI_INFO_TYPE :: my_info #else CHARACTER(LEN=10) :: fstatus, fposition INTEGER :: amode, file_handle LOGICAL :: exists, is_open #endif ierr = 0 istat = 0 #if defined(__parallel) my_info = mpi_info_null IF (PRESENT(info)) my_info = info%handle CALL mpi_file_open(groupid%handle, filepath, amode_status, my_info, fh%handle, ierr) CALL mpi_file_set_errhandler(fh%handle, MPI_ERRORS_RETURN, ierr) IF (ierr .NE. 0) CALL mp_stop(ierr, "mpi_file_set_errhandler @ mp_file_open") #else MARK_USED(groupid) MARK_USED(info) amode = amode_status IF (amode .GT. file_amode_append) THEN fposition = "APPEND" amode = amode - file_amode_append ELSE fposition = "REWIND" END IF IF ((amode .EQ. file_amode_create) .OR. & (amode .EQ. file_amode_create + file_amode_wronly) .OR. & (amode .EQ. file_amode_create + file_amode_wronly + file_amode_excl)) THEN fstatus = "UNKNOWN" ELSE fstatus = "OLD" END IF ! Get a new unit number DO file_handle = 1, 999 INQUIRE (UNIT=file_handle, EXIST=exists, OPENED=is_open, IOSTAT=istat) IF (exists .AND. (.NOT. is_open) .AND. (istat == 0)) EXIT END DO fh%handle = file_handle OPEN (UNIT=fh%handle, FILE=filepath, STATUS=fstatus, ACCESS="STREAM", POSITION=fposition) #endif END SUBROUTINE mp_file_open SUBROUTINE mp_file_delete(filepath, info) !! Deletes a file. Auxiliary routine to emulate 'replace' action for mp_file_open. !! Only the master processor should call this routine. CHARACTER(LEN=*), INTENT(IN) :: filepath !! path to the file TYPE(mp_info_type), INTENT(IN), OPTIONAL :: info !! info object #if defined(__parallel) INTEGER :: ierr MPI_INFO_TYPE :: my_info LOGICAL :: exists #endif #if defined(__parallel) ierr = 0 my_info = mpi_info_null IF (PRESENT(info)) my_info = info%handle INQUIRE (FILE=filepath, EXIST=exists) IF (exists) CALL mpi_file_delete(filepath, my_info, ierr) IF (ierr .NE. 0) CALL mp_stop(ierr, "mpi_file_set_errhandler @ mp_file_delete") #else MARK_USED(filepath) MARK_USED(info) ! Explicit file delete not necessary, handled by subsequent call to open_file with action 'replace' #endif END SUBROUTINE mp_file_delete SUBROUTINE mp_file_close(fh) !! Closes a file !! !! MPI-I/O mapping mpi_file_close !! !! STREAM-I/O mapping CLOSE TYPE(mp_file_type), INTENT(INOUT) :: fh !! file handle (file storage unit) INTEGER :: ierr ierr = 0 #if defined(__parallel) CALL mpi_file_set_errhandler(fh%handle, MPI_ERRORS_RETURN, ierr) CALL mpi_file_close(fh%handle, ierr) IF (ierr .NE. 0) CALL mp_stop(ierr, "mpi_file_set_errhandler @ mp_file_close") #else CLOSE (fh%handle) #endif END SUBROUTINE mp_file_close SUBROUTINE mp_file_get_size(fh, file_size) !! Returns the file size !! !! MPI-I/O mapping mpi_file_get_size !! !! STREAM-I/O mapping INQUIRE TYPE(mp_file_type), INTENT(IN) :: fh !! file handle (file storage unit) INTEGER(kind=file_offset), INTENT(OUT) :: file_size !! the file size INTEGER :: ierr ierr = 0 #if defined(__parallel) CALL mpi_file_set_errhandler(fh%handle, MPI_ERRORS_RETURN, ierr) CALL mpi_file_get_size(fh%handle, file_size, ierr) IF (ierr .NE. 0) CALL mp_stop(ierr, "mpi_file_set_errhandler @ mp_file_get_size") #else INQUIRE (UNIT=fh%handle, SIZE=file_size) #endif END SUBROUTINE mp_file_get_size SUBROUTINE mp_file_get_position(fh, pos) !! Returns the file position !! !! MPI-I/O mapping mpi_file_get_position !! !! STREAM-I/O mapping INQUIRE TYPE(mp_file_type), INTENT(IN) :: fh !! file handle (file storage unit) INTEGER(kind=file_offset), INTENT(OUT) :: pos !! the file position INTEGER :: ierr ierr = 0 #if defined(__parallel) CALL mpi_file_set_errhandler(fh%handle, MPI_ERRORS_RETURN, ierr) CALL mpi_file_get_position(fh%handle, pos, ierr) IF (ierr .NE. 0) CALL mp_stop(ierr, "mpi_file_set_errhandler @ mp_file_get_position") #else INQUIRE (UNIT=fh%handle, POS=pos) #endif END SUBROUTINE mp_file_get_position SUBROUTINE mp_file_write_at_ch(fh, offset, msg) CHARACTER(LEN=*), INTENT(IN) :: msg TYPE(mp_file_type), INTENT(IN) :: fh INTEGER(kind=file_offset), INTENT(IN) :: offset #if defined(__parallel) CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_file_write_at_ch' INTEGER :: ierr CALL MPI_FILE_WRITE_AT(fh%handle, offset, msg, LEN(msg), MPI_CHARACTER, MPI_STATUS_IGNORE, ierr) IF (ierr .NE. 0) & DBCSR_ABORT("mpi_file_write_at_ch @ "//routineN) #else WRITE (UNIT=fh%handle, POS=offset + 1) msg #endif END SUBROUTINE mp_file_write_at_ch SUBROUTINE mp_file_write_at_all_ch(fh, offset, msg) CHARACTER(LEN=*), INTENT(IN) :: msg TYPE(mp_file_type), INTENT(IN) :: fh INTEGER(kind=file_offset), INTENT(IN) :: offset #if defined(__parallel) CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_file_write_at_all_ch' INTEGER :: ierr CALL MPI_FILE_WRITE_AT_ALL(fh%handle, offset, msg, LEN(msg), MPI_CHARACTER, MPI_STATUS_IGNORE, ierr) IF (ierr .NE. 0) & DBCSR_ABORT("mpi_file_write_at_all_ch @ "//routineN) #else WRITE (UNIT=fh%handle, POS=offset + 1) msg #endif END SUBROUTINE mp_file_write_at_all_ch SUBROUTINE mp_file_read_at_all_ch(fh, offset, msg) CHARACTER(LEN=*), INTENT(OUT) :: msg TYPE(mp_file_type), INTENT(IN) :: fh INTEGER(kind=file_offset), INTENT(IN) :: offset #if defined(__parallel) CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_file_read_at_all_ch' INTEGER :: ierr CALL MPI_FILE_READ_AT_ALL(fh%handle, offset, msg, LEN(msg), MPI_CHARACTER, MPI_STATUS_IGNORE, ierr) IF (ierr .NE. 0) & DBCSR_ABORT("mpi_file_read_at_all_ch @ "//routineN) #else READ (UNIT=fh%handle, POS=offset + 1) msg #endif END SUBROUTINE mp_file_read_at_all_ch SUBROUTINE mp_type_size(type_descriptor, type_size) !! Returns the size of a data type in bytes !! !! MPI mapping !! mpi_type_size TYPE(mp_type_descriptor_type), INTENT(IN) :: type_descriptor !! data type INTEGER, INTENT(OUT) :: type_size !! size of the data type #if defined(__parallel) CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_type_size' INTEGER :: ierr ierr = 0 CALL MPI_TYPE_SIZE(type_descriptor%type_handle, type_size, ierr) IF (ierr .NE. 0) & DBCSR_ABORT("mpi_type_size @ "//routineN) #else SELECT CASE (type_descriptor%type_handle) CASE (1) type_size = real_4_size CASE (3) type_size = real_8_size CASE (5) type_size = 2*real_4_size CASE (7) type_size = 2*real_8_size END SELECT #endif END SUBROUTINE mp_type_size FUNCTION mp_type_make_struct(subtypes, & vector_descriptor, index_descriptor) & RESULT(type_descriptor) TYPE(mp_type_descriptor_type), & DIMENSION(:), INTENT(IN) :: subtypes INTEGER, DIMENSION(2), INTENT(IN), & OPTIONAL :: vector_descriptor TYPE(mp_indexing_meta_type), & INTENT(IN), OPTIONAL :: index_descriptor TYPE(mp_type_descriptor_type) :: type_descriptor CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_type_make_struct' INTEGER :: i, ierr, n #if defined(__parallel) INTEGER(kind=mpi_address_kind), & ALLOCATABLE, DIMENSION(:) :: displacements #endif INTEGER, DIMENSION(SIZE(subtypes)) :: lengths MPI_DATA_TYPE, DIMENSION(SIZE(subtypes)) :: old_types ierr = 0 n = SIZE(subtypes) !type_descriptor%mpi_type_handle = MPI_DATATYPE_NULL type_descriptor%length = 1 #if defined(__parallel) CALL mpi_get_address(MPI_BOTTOM, type_descriptor%base, ierr) IF (ierr /= 0) & DBCSR_ABORT("MPI_get_address @ "//routineN) ALLOCATE (displacements(n)) #endif type_descriptor%vector_descriptor(1:2) = 1 type_descriptor%has_indexing = .FALSE. ALLOCATE (type_descriptor%subtype(n)) type_descriptor%subtype(:) = subtypes(:) DO i = 1, SIZE(subtypes) #if defined(__parallel) displacements(i) = subtypes(i)%base #endif old_types(i) = subtypes(i)%type_handle lengths(i) = subtypes(i)%length END DO #if defined(__parallel) CALL MPI_Type_create_struct(n, & lengths, displacements, old_types, & type_descriptor%type_handle, ierr) IF (ierr /= 0) & DBCSR_ABORT("MPI_Type_create_struct @ "//routineN) CALL MPI_Type_commit(type_descriptor%type_handle, ierr) IF (ierr /= 0) & DBCSR_ABORT("MPI_Type_commit @ "//routineN) #endif IF (PRESENT(vector_descriptor) .OR. PRESENT(index_descriptor)) THEN DBCSR_ABORT(routineN//" Vectors and indices NYI") END IF END FUNCTION mp_type_make_struct RECURSIVE SUBROUTINE mp_type_free_m(type_descriptor) TYPE(mp_type_descriptor_type), INTENT(inout) :: type_descriptor CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_type_free_m' INTEGER :: handle, i, ierr CALL timeset(routineN, handle) ierr = 0 ! If the subtype is associated, then it's a user-defined data type. IF (ASSOCIATED(type_descriptor%subtype)) THEN DO i = 1, SIZE(type_descriptor%subtype) CALL mp_type_free_m(type_descriptor%subtype(i)) END DO DEALLOCATE (type_descriptor%subtype) END IF #if defined(__parallel) CALL MPI_Type_free(type_descriptor%type_handle, ierr) IF (ierr /= 0) & DBCSR_ABORT("MPI_Type_free @ "//routineN) #endif CALL timestop(handle) END SUBROUTINE mp_type_free_m SUBROUTINE mp_isend_custom(msgin, dest, comm, request, tag) !! Non-blocking send of custom type TYPE(mp_type_descriptor_type), INTENT(IN) :: msgin INTEGER, INTENT(IN) :: dest TYPE(mp_comm_type), INTENT(IN) :: comm TYPE(mp_request_type), INTENT(out) :: request INTEGER, INTENT(in), OPTIONAL :: tag INTEGER :: ierr #if defined(__parallel) CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_isend_custom' INTEGER :: my_tag my_tag = 0 IF (PRESENT(tag)) my_tag = tag ierr = 0 CALL mpi_isend(MPI_BOTTOM, 1, msgin%type_handle, dest, my_tag, & comm%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_isend @ "//routineN) #else MARK_USED(msgin) MARK_USED(dest) MARK_USED(comm) MARK_USED(request) MARK_USED(tag) ierr = 1 request = mp_request_null CALL mp_stop(ierr, "mp_isend called in non parallel case") #endif END SUBROUTINE mp_isend_custom SUBROUTINE mp_irecv_custom(msgout, source, comm, request, tag) !! Non-blocking receive of vector data TYPE(mp_type_descriptor_type), INTENT(INOUT) :: msgout INTEGER, INTENT(IN) :: source TYPE(mp_comm_type), INTENT(IN) :: comm TYPE(mp_request_type), INTENT(out) :: request INTEGER, INTENT(in), OPTIONAL :: tag INTEGER :: ierr #if defined(__parallel) CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_irecv_custom' INTEGER :: my_tag ierr = 0 my_tag = 0 IF (PRESENT(tag)) my_tag = tag CALL mpi_irecv(MPI_BOTTOM, 1, msgout%type_handle, source, my_tag, & comm%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_irecv @ "//routineN) #else MARK_USED(msgout) MARK_USED(source) MARK_USED(comm) MARK_USED(request) MARK_USED(tag) ierr = 1 request = mp_request_null DBCSR_ABORT("mp_irecv called in non parallel case") #endif END SUBROUTINE mp_irecv_custom SUBROUTINE mp_win_free(win) !! Window free TYPE(mp_win_type), INTENT(INOUT) :: win CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_win_free' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_win_free(win%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_win_free @ "//routineN) #else MARK_USED(win) win = mp_win_null #endif CALL timestop(handle) END SUBROUTINE mp_win_free SUBROUTINE mp_win_flush_all(win) !! Window flush TYPE(mp_win_type), INTENT(IN) :: win CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_win_flush_all' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_win_flush_all(win%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_win_flush_all @ "//routineN) #else MARK_USED(win) #endif CALL timestop(handle) END SUBROUTINE mp_win_flush_all SUBROUTINE mp_win_lock_all(win) !! Window lock TYPE(mp_win_type), INTENT(INOUT) :: win CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_win_lock_all' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_win_lock_all(MPI_MODE_NOCHECK, win%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_win_lock_all @ "//routineN) #else MARK_USED(win) #endif CALL timestop(handle) END SUBROUTINE mp_win_lock_all SUBROUTINE mp_win_unlock_all(win) !! Window lock TYPE(mp_win_type), INTENT(INOUT) :: win CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_win_unlock_all' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_win_unlock_all(win%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_win_unlock_all @ "//routineN) #else MARK_USED(win) #endif CALL timestop(handle) END SUBROUTINE mp_win_unlock_all # 2822 "/__w/dbcsr/dbcsr/src/mpi/dbcsr_mpiwrap.F" SUBROUTINE mp_alltoall_i11v(sb, scount, sdispl, rb, rcount, rdispl, group) !! All-to-all data exchange, rank-1 data of different sizes !! !! MPI mapping !! mpi_alltoallv !! !! Array sizes !! The scount, rcount, and the sdispl and rdispl arrays have a !! size equal to the number of processes. !! !! Offsets !! Values in sdispl and rdispl start with 0. INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: sb(:) !! Data to send INTEGER, CONTIGUOUS, INTENT(IN) :: scount(:), sdispl(:) !! Data counts for data sent to other processes !! Respective data offsets for data sent to process INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: rb(:) !! Buffer into which to receive data INTEGER, CONTIGUOUS, INTENT(IN) :: rcount(:), rdispl(:) !! Data counts for data received from other processes !! Respective data offsets for data received from other processes TYPE(mp_comm_type), INTENT(IN) :: group !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_alltoall_i11v' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen #else INTEGER :: i #endif CALL timeset(routineN, handle) ierr = 0 #if defined(__parallel) CALL mpi_alltoallv(sb, scount, sdispl, MPI_INTEGER, & rb, rcount, rdispl, MPI_INTEGER, group%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_alltoallv @ "//routineN) msglen = SUM(scount) + SUM(rcount) CALL add_perf(perf_id=6, msg_size=msglen*int_4_size) #else MARK_USED(group) MARK_USED(scount) MARK_USED(sdispl) !$OMP PARALLEL DO DEFAULT(NONE) PRIVATE(i) SHARED(rcount,rdispl,sdispl,rb,sb) DO i = 1, rcount(1) rb(rdispl(1) + i) = sb(sdispl(1) + i) END DO #endif CALL timestop(handle) END SUBROUTINE mp_alltoall_i11v SUBROUTINE mp_alltoall_i (sb, rb, count, group) !! All-to-all data exchange, rank 1 arrays, equal sizes !! !! Index meaning !! !! The first two indices specify the data while the last index counts !! the processes !! !! Sizes of ranks !! All processes have the same data size. !! !! MPI mapping !! mpi_alltoall INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: sb(:) !! array with data to send INTEGER(KIND=int_4), CONTIGUOUS, INTENT(OUT) :: rb(:) !! array into which data is received INTEGER, INTENT(IN) :: count !! number of elements to send/receive (product of the extents of the first two dimensions) TYPE(mp_comm_type), INTENT(IN) :: group !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_alltoall_i' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen, np #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_alltoall(sb, count, MPI_INTEGER, & rb, count, MPI_INTEGER, group%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_alltoall @ "//routineN) CALL mpi_comm_size(group%handle, np, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_size @ "//routineN) msglen = 2*count*np CALL add_perf(perf_id=6, msg_size=msglen*int_4_size) #else MARK_USED(count) MARK_USED(group) rb = sb #endif CALL timestop(handle) END SUBROUTINE mp_alltoall_i SUBROUTINE mp_alltoall_i22(sb, rb, count, group) !! All-to-all data exchange, rank-2 arrays, equal sizes !! @note see mp_alltoall_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: sb(:, :) INTEGER(KIND=int_4), CONTIGUOUS, INTENT(OUT) :: rb(:, :) INTEGER, INTENT(IN) :: count TYPE(mp_comm_type), INTENT(IN) :: group CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_alltoall_i22' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen, np #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_alltoall(sb, count, MPI_INTEGER, & rb, count, MPI_INTEGER, group%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_alltoall @ "//routineN) CALL mpi_comm_size(group%handle, np, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_size @ "//routineN) msglen = 2*SIZE(sb)*np CALL add_perf(perf_id=6, msg_size=msglen*int_4_size) #else MARK_USED(count) MARK_USED(group) rb = sb #endif CALL timestop(handle) END SUBROUTINE mp_alltoall_i22 SUBROUTINE mp_alltoall_i44(sb, rb, count, group) !! All-to-all data exchange, rank 4 data, equal sizes !! @note see mp_alltoall_i INTEGER(KIND=int_4), DIMENSION(:, :, :, :), CONTIGUOUS, & INTENT(IN) :: sb INTEGER(KIND=int_4), DIMENSION(:, :, :, :), CONTIGUOUS, & INTENT(OUT) :: rb INTEGER, INTENT(IN) :: count TYPE(mp_comm_type), INTENT(IN) :: group CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_alltoall_i44' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen, np #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_alltoall(sb, count, MPI_INTEGER, & rb, count, MPI_INTEGER, group%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_alltoall @ "//routineN) CALL mpi_comm_size(group%handle, np, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_size @ "//routineN) msglen = 2*count*np CALL add_perf(perf_id=6, msg_size=msglen*int_4_size) #else MARK_USED(count) MARK_USED(group) rb = sb #endif CALL timestop(handle) END SUBROUTINE mp_alltoall_i44 SUBROUTINE mp_send_i (msg, dest, tag, gid) !! Send one datum to another process !! !! MPI mapping !! mpi_send INTEGER(KIND=int_4) :: msg !! Scalar to send INTEGER :: dest, tag !! Destination process !! Transfer identifier TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_send_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_send(msg, msglen, MPI_INTEGER, dest, tag, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_send @ "//routineN) CALL add_perf(perf_id=13, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(dest) MARK_USED(tag) MARK_USED(gid) ! only defined in parallel DBCSR_ABORT("not in parallel mode") #endif CALL timestop(handle) END SUBROUTINE mp_send_i SUBROUTINE mp_send_iv(msg, dest, tag, gid) !! Send rank-1 data to another process !! @note see mp_send_i INTEGER(KIND=int_4), CONTIGUOUS :: msg(:) !! Rank-1 data to send INTEGER :: dest, tag TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_send_iv' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_send(msg, msglen, MPI_INTEGER, dest, tag, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_send @ "//routineN) CALL add_perf(perf_id=13, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(dest) MARK_USED(tag) MARK_USED(gid) ! only defined in parallel DBCSR_ABORT("not in parallel mode") #endif CALL timestop(handle) END SUBROUTINE mp_send_iv SUBROUTINE mp_recv_i (msg, source, tag, gid) !! Receive one datum from another process !! !! MPI mapping !! mpi_send INTEGER(KIND=int_4), INTENT(INOUT) :: msg !! Place received data into this variable INTEGER, INTENT(INOUT) :: source, tag !! Process to receive from !! Transfer identifier TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_recv_i' INTEGER :: handle, ierr, msglen #if defined(__parallel) MPI_STATUS_TYPE :: status #endif ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_recv(msg, msglen, MPI_INTEGER, source, tag, gid%handle, status, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_recv @ "//routineN) CALL add_perf(perf_id=14, msg_size=msglen*int_4_size) source = status MPI_STATUS_EXTRACT(MPI_SOURCE) tag = status MPI_STATUS_EXTRACT(MPI_TAG) #else MARK_USED(msg) MARK_USED(source) MARK_USED(tag) MARK_USED(gid) ! only defined in parallel DBCSR_ABORT("not in parallel mode") #endif CALL timestop(handle) END SUBROUTINE mp_recv_i SUBROUTINE mp_recv_iv(msg, source, tag, gid) !! Receive rank-1 data from another process !! @note see mp_recv_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:) !! Place received data into this rank-1 array INTEGER, INTENT(INOUT) :: source, tag TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_recv_iv' INTEGER :: handle, ierr, msglen #if defined(__parallel) MPI_STATUS_TYPE :: status #endif ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_recv(msg, msglen, MPI_INTEGER, source, tag, gid%handle, status, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_recv @ "//routineN) CALL add_perf(perf_id=14, msg_size=msglen*int_4_size) source = status MPI_STATUS_EXTRACT(MPI_SOURCE) tag = status MPI_STATUS_EXTRACT(MPI_TAG) #else MARK_USED(msg) MARK_USED(source) MARK_USED(tag) MARK_USED(gid) ! only defined in parallel DBCSR_ABORT("not in parallel mode") #endif CALL timestop(handle) END SUBROUTINE mp_recv_iv SUBROUTINE mp_bcast_i (msg, source, gid) !! Broadcasts a datum to all processes. !! !! MPI mapping !! mpi_bcast INTEGER(KIND=int_4) :: msg !! Datum to broadcast INTEGER :: source !! Processes which broadcasts TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_bcast_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_bcast(msg, msglen, MPI_INTEGER, source, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_bcast @ "//routineN) CALL add_perf(perf_id=2, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(source) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_bcast_i SUBROUTINE mp_ibcast_i (msg, source, gid, request) !! Broadcasts a datum to all processes. !! !! MPI mapping !! mpi_bcast INTEGER(KIND=int_4) :: msg !! Datum to broadcast INTEGER :: source !! Processes which broadcasts TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier TYPE(mp_request_type), INTENT(INOUT) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_ibcast_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_ibcast(msg, msglen, MPI_INTEGER, source, gid%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_ibcast @ "//routineN) CALL add_perf(perf_id=22, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(source) MARK_USED(gid) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_ibcast_i SUBROUTINE mp_bcast_iv(msg, source, gid) !! Broadcasts rank-1 data to all processes !! @note see mp_bcast_i1 INTEGER(KIND=int_4), CONTIGUOUS :: msg(:) !! Data to broadcast INTEGER :: source TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_bcast_iv' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_bcast(msg, msglen, MPI_INTEGER, source, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_bcast @ "//routineN) CALL add_perf(perf_id=2, msg_size=msglen*int_4_size) #else MARK_USED(source) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_bcast_iv SUBROUTINE mp_ibcast_iv(msg, source, gid, request) !! Broadcasts rank-1 data to all processes !! @note see mp_bcast_i1 INTEGER(KIND=int_4), CONTIGUOUS :: msg(:) !! Data to broadcast INTEGER :: source TYPE(mp_comm_type), INTENT(IN) :: gid TYPE(mp_request_type), INTENT(INOUT) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_ibcast_iv' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_ibcast(msg, msglen, MPI_INTEGER, source, gid%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_ibcast @ "//routineN) CALL add_perf(perf_id=22, msg_size=msglen*int_4_size) #else MARK_USED(source) MARK_USED(gid) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_ibcast_iv SUBROUTINE mp_bcast_im(msg, source, gid) !! Broadcasts rank-2 data to all processes !! @note see mp_bcast_i1 INTEGER(KIND=int_4), CONTIGUOUS :: msg(:, :) !! Data to broadcast INTEGER :: source TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_bcast_im' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_bcast(msg, msglen, MPI_INTEGER, source, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_bcast @ "//routineN) CALL add_perf(perf_id=2, msg_size=msglen*int_4_size) #else MARK_USED(source) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_bcast_im SUBROUTINE mp_bcast_i3(msg, source, gid) !! Broadcasts rank-3 data to all processes !! @note see mp_bcast_i1 INTEGER(KIND=int_4), CONTIGUOUS :: msg(:, :, :) !! Data to broadcast INTEGER :: source TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_bcast_i3' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_bcast(msg, msglen, MPI_INTEGER, source, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_bcast @ "//routineN) CALL add_perf(perf_id=2, msg_size=msglen*int_4_size) #else MARK_USED(source) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_bcast_i3 SUBROUTINE mp_sum_i (msg, gid) !! Sums a datum from all processes with result left on all processes. !! !! MPI mapping !! mpi_allreduce INTEGER(KIND=int_4), INTENT(INOUT) :: msg !! Datum to sum (input) and result (output) TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_SUM, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_i SUBROUTINE mp_sum_iv(msg, gid) !! Element-wise sum of a rank-1 array on all processes. !! @note see mp_sum_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:) !! Vector to sum and result TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_iv' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) msglen = SIZE(msg) IF (msglen > 0) THEN CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_SUM, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) END IF CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_iv SUBROUTINE mp_isum_iv(msg, gid, request) !! Element-wise sum of a rank-1 array on all processes. !! @note see mp_sum_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:) !! Vector to sum and result TYPE(mp_comm_type), INTENT(IN) :: gid TYPE(mp_request_type), INTENT(INOUT) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_isum_iv' INTEGER :: handle, ierr #if defined(__parallel) INTEGER :: msglen #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) msglen = SIZE(msg) IF (msglen > 0) THEN CALL mpi_iallreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_SUM, gid%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_iallreduce @ "//routineN) ELSE request = mp_request_null END IF CALL add_perf(perf_id=23, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(gid) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_isum_iv SUBROUTINE mp_sum_im(msg, gid) !! Element-wise sum of a rank-2 array on all processes. !! @note see mp_sum_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:, :) !! Matrix to sum and result TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_im' INTEGER :: handle, ierr #if defined(__parallel) INTEGER, PARAMETER :: max_msg = 2**25 INTEGER :: m1, msglen, step, msglensum #endif ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) ! chunk up the call so that message sizes are limited, to avoid overflows in mpich triggered in large rpa calcs step = MAX(1, SIZE(msg, 2)/MAX(1, SIZE(msg)/max_msg)) msglensum = 0 DO m1 = LBOUND(msg, 2), UBOUND(msg, 2), step msglen = SIZE(msg, 1)*(MIN(UBOUND(msg, 2), m1 + step - 1) - m1 + 1) msglensum = msglensum + msglen IF (msglen > 0) THEN CALL mpi_allreduce(MPI_IN_PLACE, msg(LBOUND(msg, 1), m1), msglen, MPI_INTEGER, MPI_SUM, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) END IF END DO CALL add_perf(perf_id=3, msg_size=msglensum*int_4_size) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_im SUBROUTINE mp_sum_im3(msg, gid) !! Element-wise sum of a rank-3 array on all processes. !! @note see mp_sum_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:, :, :) !! Array to sum and result TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_im3' INTEGER :: handle, ierr, & msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) IF (msglen > 0) THEN CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_SUM, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) END IF CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_im3 SUBROUTINE mp_sum_im4(msg, gid) !! Element-wise sum of a rank-4 array on all processes. !! @note see mp_sum_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:, :, :, :) !! Array to sum and result TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_im4' INTEGER :: handle, ierr, & msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) IF (msglen > 0) THEN CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_SUM, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) END IF CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_im4 SUBROUTINE mp_sum_root_iv(msg, root, gid) !! Element-wise sum of data from all processes with result left only on !! one. !! !! MPI mapping !! mpi_reduce INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:) !! Vector to sum (input) and (only on process root) result (output) INTEGER, INTENT(IN) :: root TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_root_iv' INTEGER :: handle, ierr, msglen #if defined(__parallel) INTEGER :: m1, taskid INTEGER(KIND=int_4), ALLOCATABLE :: res(:) #endif ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_comm_rank(gid%handle, taskid, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_rank @ "//routineN) IF (msglen > 0) THEN m1 = SIZE(msg, 1) ALLOCATE (res(m1)) CALL mpi_reduce(msg, res, msglen, MPI_INTEGER, MPI_SUM, & root, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_reduce @ "//routineN) IF (taskid == root) THEN msg = res END IF DEALLOCATE (res) END IF CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(root) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_root_iv SUBROUTINE mp_sum_root_im(msg, root, gid) !! Element-wise sum of data from all processes with result left only on !! one. !! @note see mp_sum_root_iv INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:, :) !! Matrix to sum (input) and (only on process root) result (output) INTEGER, INTENT(IN) :: root TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_root_rm' INTEGER :: handle, ierr, msglen #if defined(__parallel) INTEGER :: m1, m2, taskid INTEGER(KIND=int_4), ALLOCATABLE :: res(:, :) #endif ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_comm_rank(gid%handle, taskid, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_rank @ "//routineN) IF (msglen > 0) THEN m1 = SIZE(msg, 1) m2 = SIZE(msg, 2) ALLOCATE (res(m1, m2)) CALL mpi_reduce(msg, res, msglen, MPI_INTEGER, MPI_SUM, root, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_reduce @ "//routineN) IF (taskid == root) THEN msg = res END IF DEALLOCATE (res) END IF CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(root) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_root_im SUBROUTINE mp_sum_partial_im(msg, res, gid) !! Partial sum of data from all processes with result on each process. INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: msg(:, :) !! Matrix to sum (input) INTEGER(KIND=int_4), CONTIGUOUS, INTENT(OUT) :: res(:, :) !! Matrix containing result (output) TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_partial_im' INTEGER :: handle, ierr, msglen #if defined(__parallel) INTEGER :: taskid #endif ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_comm_rank(gid%handle, taskid, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_comm_rank @ "//routineN) IF (msglen > 0) THEN CALL mpi_scan(msg, res, msglen, MPI_INTEGER, MPI_SUM, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_scan @ "//routineN) END IF CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) ! perf_id is same as for other summation routines #else res = msg MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_sum_partial_im SUBROUTINE mp_max_i (msg, gid) !! Finds the maximum of a datum with the result left on all processes. !! !! MPI mapping !! mpi_allreduce INTEGER(KIND=int_4), INTENT(INOUT) :: msg !! Find maximum among these data (input) and maximum (output) TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_max_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_MAX, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_max_i SUBROUTINE mp_max_iv(msg, gid) !! Finds the element-wise maximum of a vector with the result left on !! all processes. !! @note see mp_max_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:) !! Find maximum among these data (input) and maximum (output) TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_max_iv' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_MAX, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_max_iv SUBROUTINE mp_min_i (msg, gid) !! Finds the minimum of a datum with the result left on all processes. !! !! MPI mapping !! mpi_allreduce INTEGER(KIND=int_4), INTENT(INOUT) :: msg !! Find minimum among these data (input) and maximum (output) TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_min_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_MIN, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_min_i SUBROUTINE mp_min_iv(msg, gid) !! Finds the element-wise minimum of vector with the result left on !! all processes. !! !! MPI mapping !! mpi_allreduce !! @note see mp_min_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:) !! Find minimum among these data (input) and maximum (output) TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_min_iv' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_MIN, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_min_iv SUBROUTINE mp_prod_i (msg, gid) !! Multiplies a set of numbers scattered across a number of processes, !! then replicates the result. !! !! MPI mapping !! mpi_allreduce INTEGER(KIND=int_4), INTENT(INOUT) :: msg !! a number to multiply (input) and result (output) TYPE(mp_comm_type), INTENT(IN) :: gid !! message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_sum_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_allreduce(MPI_IN_PLACE, msg, msglen, MPI_INTEGER, MPI_PROD, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_allreduce @ "//routineN) CALL add_perf(perf_id=3, msg_size=msglen*int_4_size) #else MARK_USED(msg) MARK_USED(gid) #endif CALL timestop(handle) END SUBROUTINE mp_prod_i SUBROUTINE mp_iscatter_i (msg_scatter, msg, root, gid, request) !! Scatters data from one processes to all others !! !! MPI mapping !! mpi_scatter INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: msg_scatter(:) !! Data to scatter (for root process) INTEGER(KIND=int_4), INTENT(INOUT) :: msg INTEGER, INTENT(IN) :: root !! Process which scatters data TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier TYPE(mp_request_type), INTENT(INOUT) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_iscatter_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_iscatter(msg_scatter, msglen, MPI_INTEGER, msg, & msglen, MPI_INTEGER, root, gid%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_iscatter @ "//routineN) CALL add_perf(perf_id=24, msg_size=1*int_4_size) #else MARK_USED(root) MARK_USED(gid) msg = msg_scatter(1) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_iscatter_i SUBROUTINE mp_iscatter_iv2(msg_scatter, msg, root, gid, request) !! Scatters data from one processes to all others !! !! MPI mapping !! mpi_scatter INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: msg_scatter(:, :) !! Data to scatter (for root process) INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:) INTEGER, INTENT(IN) :: root !! Process which scatters data TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier TYPE(mp_request_type), INTENT(INOUT) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_iscatter_iv2' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_iscatter(msg_scatter, msglen, MPI_INTEGER, msg, & msglen, MPI_INTEGER, root, gid%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_iscatter @ "//routineN) CALL add_perf(perf_id=24, msg_size=1*int_4_size) #else MARK_USED(root) MARK_USED(gid) msg(:) = msg_scatter(:, 1) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_iscatter_iv2 SUBROUTINE mp_iscatterv_iv(msg_scatter, sendcounts, displs, msg, recvcount, root, gid, request) !! Scatters data from one processes to all others !! !! MPI mapping !! mpi_scatter INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: msg_scatter(:) !! Data to scatter (for root process) INTEGER, CONTIGUOUS, INTENT(IN) :: sendcounts(:), displs(:) INTEGER(KIND=int_4), CONTIGUOUS, INTENT(INOUT) :: msg(:) INTEGER, INTENT(IN) :: recvcount, root !! Process which scatters data TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier TYPE(mp_request_type), INTENT(INOUT) :: request CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_iscatterv_iv' INTEGER :: handle, ierr ierr = 0 CALL timeset(routineN, handle) #if defined(__parallel) CALL mpi_iscatterv(msg_scatter, sendcounts, displs, MPI_INTEGER, msg, & recvcount, MPI_INTEGER, root, gid%handle, request%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_iscatterv @ "//routineN) CALL add_perf(perf_id=24, msg_size=1*int_4_size) #else MARK_USED(sendcounts) MARK_USED(displs) MARK_USED(recvcount) MARK_USED(root) MARK_USED(gid) msg(1:recvcount) = msg_scatter(1 + displs(1):1 + displs(1) + sendcounts(1)) request = mp_request_null #endif CALL timestop(handle) END SUBROUTINE mp_iscatterv_iv SUBROUTINE mp_gather_i (msg, msg_gather, root, gid) !! Gathers a datum from all processes to one !! !! MPI mapping !! mpi_gather INTEGER(KIND=int_4), INTENT(IN) :: msg !! Datum to send to root INTEGER(KIND=int_4), CONTIGUOUS, INTENT(OUT) :: msg_gather(:) !! Received data (on root) INTEGER, INTENT(IN) :: root !! Process which gathers the data TYPE(mp_comm_type), INTENT(IN) :: gid !! Message passing environment identifier CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_gather_i' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = 1 #if defined(__parallel) CALL mpi_gather(msg, msglen, MPI_INTEGER, msg_gather, & msglen, MPI_INTEGER, root, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_gather @ "//routineN) CALL add_perf(perf_id=4, msg_size=msglen*int_4_size) #else MARK_USED(root) MARK_USED(gid) msg_gather(1) = msg #endif CALL timestop(handle) END SUBROUTINE mp_gather_i SUBROUTINE mp_gather_iv(msg, msg_gather, root, gid) !! Gathers data from all processes to one !! !! Data length !! All data (msg) is equal-sized !! !! MPI mapping !! mpi_gather !! @note see mp_gather_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: msg(:) !! Datum to send to root INTEGER(KIND=int_4), CONTIGUOUS, INTENT(OUT) :: msg_gather(:) INTEGER, INTENT(IN) :: root TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_gather_iv' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_gather(msg, msglen, MPI_INTEGER, msg_gather, & msglen, MPI_INTEGER, root, gid%handle, ierr) IF (ierr /= 0) CALL mp_stop(ierr, "mpi_gather @ "//routineN) CALL add_perf(perf_id=4, msg_size=msglen*int_4_size) #else MARK_USED(root) MARK_USED(gid) msg_gather = msg #endif CALL timestop(handle) END SUBROUTINE mp_gather_iv SUBROUTINE mp_gather_im(msg, msg_gather, root, gid) !! Gathers data from all processes to one !! !! Data length !! All data (msg) is equal-sized !! !! MPI mapping !! mpi_gather !! @note see mp_gather_i INTEGER(KIND=int_4), CONTIGUOUS, INTENT(IN) :: msg(:, :) !! Datum to send to root INTEGER(KIND=int_4), CONTIGUOUS, INTENT(OUT) :: msg_gather(:, :) INTEGER, INTENT(IN) :: root TYPE(mp_comm_type), INTENT(IN) :: gid CHARACTER(LEN=*), PARAMETER :: routineN = 'mp_gather_im' INTEGER :: handle, ierr, msglen ierr = 0 CALL timeset(routineN, handle) msglen = SIZE(msg) #if defined(__parallel) CALL mpi_gather(msg, msglen, MPI_INTEGER, msg_gather,