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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-23 02:57:24 +02:00

Portability

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

View File

@ -28,6 +28,7 @@ BEGIN_PROVIDER [ double precision, ao_pseudo_integrals, (ao_num,ao_num)]
END_PROVIDER
BEGIN_PROVIDER [ double precision, ao_pseudo_integrals_local, (ao_num,ao_num)]
use omp_lib
implicit none
BEGIN_DOC
! 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
integer :: thread_num
integer :: omp_get_thread_num
double precision :: c
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)]
use omp_lib
implicit none
BEGIN_DOC
! 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 :: i,j,k,l,m
double precision :: Vloc, Vpseudo
integer :: omp_get_thread_num
double precision :: wall_1, wall_2, wall_0
integer :: thread_num

View File

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