LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 11:33:29 +01:00
Code Releases Activity

Clean up openmp in cholesky

Browse Source
This commit is contained in:
Anthony Scemama 2024-05-31 20:30:48 +02:00
parent 0dca6cfde4
commit 0a3d462510
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
src/ao_two_e_ints/cholesky.irp.f
View File

@ -255,7 +255,7 @@ END_PROVIDER
allocate(computed(nq))
!print *, 'allocate : computed(nq)', memory_of_int(nq)
!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(m,k,p,q,j)
!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,p,q,j)
!$OMP DO
do q=1,nq
@ -351,7 +351,7 @@ END_PROVIDER
! iii.
f = 1.d0/dsqrt(Qmax)
!$OMP PARALLEL PRIVATE(m,p,q,k) DEFAULT(shared)
!$OMP PARALLEL PRIVATE(p,q) DEFAULT(shared)
!$OMP DO
do p=1,np
Ltmp_p(p,iblock) = Ltmp_p(p,iblock) * f