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OMP PARALLEL BUG

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This commit is contained in:
Anthony Scemama 2016-06-06 10:15:59 +02:00
parent ac3f5f9893
commit 85dfee525b
1 changed files with 13 additions and 13 deletions
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26
src/Determinants/s2.irp.f
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@ -301,19 +301,19 @@ subroutine diagonalize_s2_betweenstates(keys_tmp,psi_coefs_inout,n,nmax_keys,nma
print*,''
print*,'nstates = ',nstates
allocate(s2(nstates,nstates),overlap(nstates,nstates))
!$OMP PARALLEL DO COLLAPSE(2) DEFAULT(NONE) &
!$OMP PRIVATE(i,j) SHARED(overlap,psi_coefs_inout,nstates,n)
do i = 1, nstates
do j = i+1, nstates
if (i == j) then
overlap(i,i) = u_dot_u(psi_coefs_inout(1,i),n)
else
overlap(i,j) = u_dot_v(psi_coefs_inout(1,j),psi_coefs_inout(1,i),n)
overlap(j,i) = overlap(i,j)
endif
enddo
enddo
!$OMP END PARALLEL
!$OMP PARALLEL DO COLLAPSE(2) DEFAULT(NONE) &
!$OMP PRIVATE(i,j) SHARED(overlap,psi_coefs_inout,nstates,n)
do i = 1, nstates
do j = i+1, nstates
if (i == j) then
overlap(i,i) = u_dot_u(psi_coefs_inout(1,i),n)
else
overlap(i,j) = u_dot_v(psi_coefs_inout(1,j),psi_coefs_inout(1,i),n)
overlap(j,i) = overlap(i,j)
endif
enddo
enddo
!$OMP END PARALLEL DO
print*,'Overlap matrix in the basis of the states considered'
do i = 1, nstates
write(*,'(10(F16.10,X))')overlap(i,:)