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Adjusted dbcsr_matrix_vector_mult

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- Get pcol after cycling.
This commit is contained in:
Hans Pabst 2025-09-22 11:37:06 +02:00
parent 6968ac7747
commit e7ce2a5f4f
1 changed files with 13 additions and 17 deletions
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30
src/arnoldi/arnoldi_vector.F
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@ -567,9 +567,9 @@ CONTAINS
CHARACTER(LEN=*), PARAMETER :: routineN = 'dbcsr_matrix_vector_mult'
INTEGER :: col, handle, handle1, ithread, mypcol, &
myprow, ncols, nrows, pcol, prow, &
prow_handle, row
INTEGER :: col, handle, handle1, ithread, k, m, &
mypcol, myprow, n, ncols, nrows, pcol, &
prow, prow_handle, row
REAL(kind=real_8), DIMENSION(:), POINTER :: data_vec
REAL(kind=real_8), DIMENSION(:, :), POINTER :: data_d, vec_res
TYPE(dbcsr_distribution_type) :: dist
@ -599,7 +599,7 @@ CONTAINS
! It is important to note, that the input and result vector are distributed differently (row wise, col wise respectively)
CALL timeset(routineN//"_local_mm", handle1)
!$OMP PARALLEL DEFAULT(NONE) PRIVATE(row,col,iter,data_d,ithread,pcol,prow) &
!$OMP PARALLEL DEFAULT(NONE) PRIVATE(row,col,iter,data_d,ithread,pcol,prow,m,n,k) &
!$OMP SHARED(matrix,fast_vec_col,fast_vec_row)
!$ ithread = omp_get_thread_num()
CALL dbcsr_iterator_start(iter, matrix, shared=.FALSE.)
@ -607,21 +607,17 @@ CONTAINS
CALL dbcsr_iterator_next_block(iter, row, col, data_d)
prow = hash_table_get(fast_vec_col%hash_table, row)
IF (fast_vec_col%blk_map(prow)%assigned_thread .NE. ithread) CYCLE
m = SIZE(fast_vec_col%blk_map(prow)%ptr, 1)
n = SIZE(fast_vec_col%blk_map(prow)%ptr, 2)
k = SIZE(data_d, 2)
IF ((m .EQ. 0) .OR. (n .EQ. 0) .OR. (k .EQ. 0)) CYCLE
CPASSERT(n .EQ. 1)
pcol = hash_table_get(fast_vec_row%hash_table, col)
IF (SIZE(fast_vec_col%blk_map(prow)%ptr, 1) .EQ. 0 .OR. &
SIZE(fast_vec_col%blk_map(prow)%ptr, 2) .EQ. 0 .OR. &
SIZE(data_d, 2) .EQ. 0) CYCLE
CALL dgemm('N', 'T', SIZE(fast_vec_col%blk_map(prow)%ptr, 1), &
SIZE(fast_vec_col%blk_map(prow)%ptr, 2), &
SIZE(data_d, 2), &
CALL dgemm('N', 'T', m, n, k, &
1.0_dp, data_d, m, &
fast_vec_row%blk_map(pcol)%ptr, n, &
1.0_dp, &
data_d, &
SIZE(fast_vec_col%blk_map(prow)%ptr, 1), &
fast_vec_row%blk_map(pcol)%ptr, &
SIZE(fast_vec_col%blk_map(prow)%ptr, 2), &
1.0_dp, &
fast_vec_col%blk_map(prow)%ptr, &
SIZE(fast_vec_col%blk_map(prow)%ptr, 1))
fast_vec_col%blk_map(prow)%ptr, m)
END DO
CALL dbcsr_iterator_stop(iter)
!$OMP END PARALLEL