Tests for DBCSR operations: add, multiply and multiply-ghost
| Type | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|
| integer | :: | mp_comm | ||||
| integer | :: | group | ||||
| integer | :: | numnodes | ||||
| integer | :: | mynode | ||||
| integer | :: | prow | ||||
| integer | :: | pcol | ||||
| integer | :: | io_unit | ||||
| integer | :: | handle | ||||
| integer, | DIMENSION(2) | :: | npdims | |||
| integer, | DIMENSION(2) | :: | myploc | |||
| integer, | DIMENSION(:, :), POINTER | :: | pgrid | |||
| type(dbcsr_mp_obj) | :: | mp_env | ||||
| character(len=*), | parameter | :: | routineN | = | 'dbcsr_unittest' |
PROGRAM dbcsr_unittest_1
!! Tests for DBCSR operations:
!! add, multiply and multiply-ghost
USE dbcsr_kinds, ONLY: dp
USE dbcsr_lib, ONLY: dbcsr_finalize_lib, &
dbcsr_init_lib, &
dbcsr_print_statistics
USE dbcsr_machine, ONLY: default_output_unit
USE dbcsr_mp_methods, ONLY: dbcsr_mp_new, &
dbcsr_mp_release
USE dbcsr_mpiwrap, ONLY: mp_cart_create, &
mp_cart_rank, &
mp_comm_free, &
mp_environ, &
mp_world_finalize, &
mp_world_init
USE dbcsr_test_add, ONLY: dbcsr_test_adds
USE dbcsr_test_methods, ONLY: dbcsr_reset_randmat_seed
USE dbcsr_test_multiply, ONLY: dbcsr_test_multiplies
USE dbcsr_types, ONLY: dbcsr_mp_obj
#include "base/dbcsr_base_uses.f90"
IMPLICIT NONE
INTEGER :: mp_comm, group, numnodes, mynode, &
prow, pcol, io_unit, handle
INTEGER, DIMENSION(2) :: npdims, myploc
INTEGER, DIMENSION(:, :), POINTER :: pgrid
TYPE(dbcsr_mp_obj) :: mp_env
CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_unittest'
!***************************************************************************************
! initialize mpi
CALL mp_world_init(mp_comm)
! setup the mp environment
npdims(:) = 0
CALL mp_cart_create(mp_comm, 2, npdims, myploc, group)
CALL mp_environ(numnodes, mynode, group)
ALLOCATE (pgrid(0:npdims(1) - 1, 0:npdims(2) - 1))
DO prow = 0, npdims(1) - 1
DO pcol = 0, npdims(2) - 1
CALL mp_cart_rank(group, (/prow, pcol/), pgrid(prow, pcol))
END DO
END DO
CALL dbcsr_mp_new(mp_env, group, pgrid, mynode, numnodes, &
myprow=myploc(1), mypcol=myploc(2))
DEALLOCATE (pgrid)
! set standard output parameters
io_unit = 0
IF (mynode .EQ. 0) io_unit = default_output_unit
! initialize libdbcsr
CALL dbcsr_init_lib(mp_comm, io_unit)
! initialize libdbcsr errors
CALL timeset(routineN, handle)
CALL dbcsr_reset_randmat_seed()
! run tests
! add -----------------------------------------------------------------------
CALL dbcsr_test_adds("add_1", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 25/), &
sparsities=(/0.7_dp, 0.5_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 1.0_dp, dp), beta=CMPLX(2.0_dp, 2.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2, 1, 3/), &
limits=(/1, 50, 1, 25/))
CALL dbcsr_test_adds("add_2", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50/), &
sparsities=(/0.4_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(3.0_dp, 2.0_dp, dp), beta=CMPLX(4.0_dp, 0.5_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), &
limits=(/1, 50, 1, 50/))
! multiply ------------------------------------------------------------------
CALL dbcsr_test_multiplies("multiply_ALPHA", &
group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(-3.0_dp, -4.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 4/), bs_n=(/1, 4/), bs_k=(/1, 4/), &
limits=(/2, 6, 3, 7, 6, 7/))
CALL dbcsr_test_multiplies("multiply_BETA", &
group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(3.0_dp, -2.0_dp, dp), &
bs_m=(/1, 4/), bs_n=(/1, 4/), bs_k=(/1, 4/), &
limits=(/2, 6, 3, 7, 6, 7/))
CALL dbcsr_test_multiplies("multiply_LIMITS_COL_1", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 1, 20, 1, 50/))
CALL dbcsr_test_multiplies("multiply_LIMITS_COL_2", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 9, 18, 1, 50/))
CALL dbcsr_test_multiplies("multiply_LIMITS_COL_3", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 9, 18, 1, 50/))
CALL dbcsr_test_multiplies("multiply_LIMITS_COL_4", &
group, mp_env, npdims, io_unit, matrix_sizes=(/25, 50, 75/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 25, 9, 18, 1, 75/))
CALL dbcsr_test_multiplies("multiply_LIMITS_K_1", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 1, 50, 1, 20/))
CALL dbcsr_test_multiplies("multiply_LIMITS_K_2", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 1, 50, 9, 18/))
CALL dbcsr_test_multiplies("multiply_LIMITS_K_3", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 1, 50, 9, 18/))
CALL dbcsr_test_multiplies("multiply_LIMITS_K_4", &
group, mp_env, npdims, io_unit, matrix_sizes=(/25, 50, 75/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 25, 1, 50, 9, 18/))
CALL dbcsr_test_multiplies("multiply_LIMITS_MIX_1", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/9, 18, 11, 20, 1, 50/))
CALL dbcsr_test_multiplies("multiply_LIMITS_MIX_2", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 9, 10, 11, 20/))
CALL dbcsr_test_multiplies("multiply_LIMITS_MIX_3", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/9, 20, 1, 50, 11, 18/))
CALL dbcsr_test_multiplies("multiply_LIMITS_MIX_4", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/11, 20, 11, 20, 13, 18/))
CALL dbcsr_test_multiplies("multiply_LIMITS_MIX_5", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/11, 20, 11, 20, 13, 18/))
CALL dbcsr_test_multiplies("multiply_LIMITS_MIX_6", &
group, mp_env, npdims, io_unit, matrix_sizes=(/25, 50, 75/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/11, 20, 11, 20, 13, 18/))
CALL dbcsr_test_multiplies("multiply_LIMITS_MIX_7", &
group, mp_env, npdims, io_unit, matrix_sizes=(/25, 50, 75/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 1.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2, 1, 3/), bs_k=(/1, 3, 1, 2, 1, 0/), &
limits=(/11, 20, 11, 20, 6, 10/))
CALL dbcsr_test_multiplies("multiply_LIMITS_ROW_1", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 20, 1, 50, 1, 50/))
CALL dbcsr_test_multiplies("multiply_LIMITS_ROW_2", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/9, 18, 1, 50, 1, 50/))
CALL dbcsr_test_multiplies("multiply_LIMITS_ROW_3", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/9, 18, 1, 50, 1, 50/))
CALL dbcsr_test_multiplies("multiply_LIMITS_ROW_4", &
group, mp_env, npdims, io_unit, matrix_sizes=(/25, 50, 75/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/9, 18, 1, 50, 1, 75/))
CALL dbcsr_test_multiplies("multiply_RT", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 1, 50, 1, 50/))
CALL dbcsr_test_multiplies("multiply_SQ", &
group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), &
sparsities=(/0.0_dp, 0.0_dp, 0.0_dp/), retain_sparsity=.FALSE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 50, 1, 50, 1, 50/))
! multiply-ghost ------------------------------------------------------------
CALL dbcsr_test_multiplies("ub2", &
group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 4/), bs_n=(/1, 4/), bs_k=(/1, 4/), &
limits=(/2, 6, 3, 7, 6, 7/))
CALL dbcsr_test_multiplies("ub-k-ghost", &
group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 4/), bs_n=(/1, 4/), bs_k=(/1, 4, 1, 0/), &
limits=(/2, 6, 3, 7, 2, 7/))
CALL dbcsr_test_multiplies("ub-m-ghost", &
group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 4, 1, 0/), bs_n=(/1, 4/), bs_k=(/1, 4/), &
limits=(/2, 6, 3, 7, 2, 7/))
CALL dbcsr_test_multiplies("ub-mnk-ghost", &
group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 4, 1, 0/), bs_n=(/1, 4, 1, 0/), bs_k=(/1, 4, 1, 0/), &
limits=(/2, 6, 3, 7, 2, 7/))
CALL dbcsr_test_multiplies("ub-n-ghost", &
group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 4/), bs_n=(/1, 4, 1, 0/), bs_k=(/1, 4/), &
limits=(/2, 6, 3, 7, 2, 7/))
CALL dbcsr_test_multiplies("ub", &
group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), &
sparsities=(/0.5_dp, 0.5_dp, 0.5_dp/), retain_sparsity=.TRUE., &
alpha=CMPLX(1.0_dp, 0.0_dp, dp), beta=CMPLX(0.0_dp, 0.0_dp, dp), &
bs_m=(/1, 2/), bs_n=(/1, 2/), bs_k=(/1, 2/), &
limits=(/1, 20, 1, 20, 9, 18/))
! end of test cases ---------------------------------------------------------
CALL timestop(handle)
! clean mp environment
CALL dbcsr_mp_release(mp_env)
! finalize mpi
CALL mp_comm_free(group)
call dbcsr_print_statistics(.true.)
! finalize libdbcsr
CALL dbcsr_finalize_lib()
CALL mp_world_finalize()
END PROGRAM dbcsr_unittest_1