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openmp issue solved

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This commit is contained in:
AbdAmmar 2024-08-05 14:49:35 +02:00
parent dee440747f
commit 67a2f0eb0c
2 changed files with 7 additions and 0 deletions
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4
plugins/local/tc_int/compute_tc_int.irp.f
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@ -236,9 +236,13 @@ subroutine provide_int2_grad1_u12_ao()
! --- ! ---
double precision :: tmp_omp
call wall_time(time1) call wall_time(time1)
PROVIDE ao_integrals_map PROVIDE ao_integrals_map
tmp_omp = get_ao_two_e_integral(1, 1, 1, 1, ao_integrals_map)
!$OMP PARALLEL DEFAULT(NONE) & !$OMP PARALLEL DEFAULT(NONE) &
!$OMP SHARED(ao_num, tc_int_2e_ao, ao_integrals_map) & !$OMP SHARED(ao_num, tc_int_2e_ao, ao_integrals_map) &
!$OMP PRIVATE(i, j, k, l) !$OMP PRIVATE(i, j, k, l)

3
plugins/local/tc_int/write_tc_int_cuda.irp.f
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@ -136,11 +136,14 @@ subroutine do_work_on_gpu()
integer :: i, j, l integer :: i, j, l
double precision :: t1, t2 double precision :: t1, t2
double precision :: tmp
double precision, external :: get_ao_two_e_integral double precision, external :: get_ao_two_e_integral
call wall_time(t1) call wall_time(t1)
PROVIDE ao_integrals_map PROVIDE ao_integrals_map
tmp = get_ao_two_e_integral(1, 1, 1, 1, ao_integrals_map)
!$OMP PARALLEL DEFAULT(NONE) & !$OMP PARALLEL DEFAULT(NONE) &
!$OMP SHARED(ao_num, int_2e_ao, ao_integrals_map) & !$OMP SHARED(ao_num, int_2e_ao, ao_integrals_map) &
!$OMP PRIVATE(i, j, k, l) !$OMP PRIVATE(i, j, k, l)