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openmp in qmcchem

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Anthony Scemama 2015-11-11 12:27:33 +01:00
parent c7ea1df52c
commit 2e27f8bd37
1 changed files with 1 additions and 1 deletions
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plugins/QmcChem/target_pt2_qmc.irp.f
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@ -93,7 +93,7 @@ subroutine compute_energy(psi_bilinear_matrix_values_save, E, m, norm)
m = 0 m = 0
!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,l,det_i,det_j,ci,cj,hij) REDUCTION(+:norm,m,num) !$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,l,det_i,det_j,ci,cj,hij) REDUCTION(+:norm,m,num)
allocate( det_i(N_int,2), det_j(N_int,2)) allocate( det_i(N_int,2), det_j(N_int,2))
!$OMP DO !$OMP DO schedule(guided)
do k=1,n_det do k=1,n_det
if (psi_bilinear_matrix_values_save(k) == 0.d0) then if (psi_bilinear_matrix_values_save(k) == 0.d0) then
cycle cycle