comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 14:15:19 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Fix for Intel compiler (suppress OpenMP for loop)

Browse source
This commit is contained in:
Matthias Krack 2023-08-23 18:20:03 +02:00
parent 73942e2fcb
commit 992aa927d0
1 changed files with 8 additions and 1 deletions
Download patch file Download diff file Expand all files Collapse all files

9
src/pw/ps_implicit_methods.F
View file

@ -1150,6 +1150,11 @@ CONTAINS
ALLOCATE (ps_implicit_env%idx_1dto3d(data_size))
l = 1
! Suppress OpenMP (at least the Intel compiler has an issue here)
! An automatic OpenMP parallelization of this loop might be tricky
! because of the l incrementation
!$OMP PARALLEL IF(.FALSE.)
!$OMP DO
DO k = lb3, ub3
DO j = lb2, ub2
DO i = lb1, ub1
@ -1160,6 +1165,8 @@ CONTAINS
END DO
END DO
END DO
!$OMP END DO
!$OMP END PARALLEL
n_contacts = SIZE(ps_implicit_env%contacts)
n_tiles_tot = 0
@ -1281,7 +1288,7 @@ CONTAINS
l = 1
! Suppress OpenMP (at least the Intel compiler has an issue here)
! An automatic OpenMP parallelization of this loop might be tricky
! because of the incrementation of l
! because of the l incrementation
!$OMP PARALLEL IF(.FALSE.)
!$OMP DO
DO k = lb3, ub3