LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-30 23:25:39 +01:00
Code Releases Activity

Portability

Browse Source
This commit is contained in:
Anthony Scemama 2021-11-17 00:47:36 +01:00
parent 1b6fb2e607
commit a5fdccfb97
2 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
src/ao_one_e_ints/pot_ao_pseudo_ints.irp.f
View File

@ -28,6 +28,7 @@ BEGIN_PROVIDER [ double precision, ao_pseudo_integrals, (ao_num,ao_num)]
END_PROVIDER END_PROVIDER
BEGIN_PROVIDER [ double precision, ao_pseudo_integrals_local, (ao_num,ao_num)] BEGIN_PROVIDER [ double precision, ao_pseudo_integrals_local, (ao_num,ao_num)]
use omp_lib
implicit none implicit none
BEGIN_DOC BEGIN_DOC
! Local pseudo-potential ! Local pseudo-potential
@ -42,7 +43,6 @@ BEGIN_PROVIDER [ double precision, ao_pseudo_integrals_local, (ao_num,ao_num)]
double precision :: wall_1, wall_2, wall_0 double precision :: wall_1, wall_2, wall_0
integer :: thread_num integer :: thread_num
integer :: omp_get_thread_num
double precision :: c double precision :: c
double precision :: Z double precision :: Z
@ -158,6 +158,7 @@ BEGIN_PROVIDER [ double precision, ao_pseudo_integrals_local, (ao_num,ao_num)]
BEGIN_PROVIDER [ double precision, ao_pseudo_integrals_non_local, (ao_num,ao_num)] BEGIN_PROVIDER [ double precision, ao_pseudo_integrals_non_local, (ao_num,ao_num)]
use omp_lib
implicit none implicit none
BEGIN_DOC BEGIN_DOC
! Non-local pseudo-potential ! Non-local pseudo-potential
@ -169,7 +170,6 @@ BEGIN_PROVIDER [ double precision, ao_pseudo_integrals_local, (ao_num,ao_num)]
integer :: power_A(3),power_B(3) integer :: power_A(3),power_B(3)
integer :: i,j,k,l,m integer :: i,j,k,l,m
double precision :: Vloc, Vpseudo double precision :: Vloc, Vpseudo
integer :: omp_get_thread_num
double precision :: wall_1, wall_2, wall_0 double precision :: wall_1, wall_2, wall_0
integer :: thread_num integer :: thread_num

2
src/utils/util.irp.f
View File

@ -300,12 +300,12 @@ subroutine wall_time(t)
end end
BEGIN_PROVIDER [ integer, nproc ] BEGIN_PROVIDER [ integer, nproc ]
use omp_lib
implicit none implicit none
BEGIN_DOC BEGIN_DOC
! Number of current OpenMP threads ! Number of current OpenMP threads
END_DOC END_DOC
integer :: omp_get_num_threads
nproc = 1 nproc = 1
!$OMP PARALLEL !$OMP PARALLEL
!$OMP MASTER !$OMP MASTER