Commit 9c49035b authored by Gregor Michalicek's avatar Gregor Michalicek

Comment out OMP parallelization in vmts

The OMP parallelization yielded wrong results for the vtl array with the ifort 18 compiler.
parent acb2166b
......@@ -78,8 +78,10 @@ CONTAINS
ENDDO
ENDIF
! ----> g.ne.0 components
!$OMP PARALLEL DO DEFAULT(SHARED) PRIVATE(cp,pylm,nat,n,sbf,nd,lh,&
!$OMP& sm,jm,m,lm,l) REDUCTION(+:vtl)
! I commented out the OMP parallelization for the following loop since
! it produced wrong results with the ifort 18 compiler.
!!$OMP PARALLEL DO DEFAULT(SHARED) PRIVATE(cp,pylm,nat,n,sbf,nd,lh,&
!!$OMP& sm,jm,m,lm,l) REDUCTION(+:vtl)
DO k = mpi%irank+2, stars%ng3, mpi%isize
cp = vpw(k,1)*stars%nstr(k)
IF (.NOT.oneD%odi%d1) THEN
......@@ -113,7 +115,7 @@ CALL od_phasy(&
nat = nat + atoms%neq(n)
ENDDO
ENDDO
!$OMP END PARALLEL DO
!!$OMP END PARALLEL DO
#ifdef CPP_MPI
n1 = (sphhar%nlhd+1)*atoms%ntype
ALLOCATE(c_b(n1))
......
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