From 172e2455432806e1861c8c4973866b9a6731b081 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 17 Dec 2019 11:27:35 +0100 Subject: [PATCH] Fixed parallel selection with a huge nb of slaves --- src/cipsi/run_pt2_slave.irp.f | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/src/cipsi/run_pt2_slave.irp.f b/src/cipsi/run_pt2_slave.irp.f index b1adfa20..7df98a87 100644 --- a/src/cipsi/run_pt2_slave.irp.f +++ b/src/cipsi/run_pt2_slave.irp.f @@ -31,11 +31,12 @@ subroutine run_pt2_slave(thread,iproc,energy) double precision, intent(in) :: energy(N_states_diag) integer, intent(in) :: thread, iproc - if (N_det > nproc*(elec_alpha_num * (mo_num-elec_alpha_num))**2) then - call run_pt2_slave_large(thread,iproc,energy) - else - call run_pt2_slave_small(thread,iproc,energy) - endif + call run_pt2_slave_large(thread,iproc,energy) +! if (N_det > nproc*(elec_alpha_num * (mo_num-elec_alpha_num))**2) then +! call run_pt2_slave_large(thread,iproc,energy) +! else +! call run_pt2_slave_small(thread,iproc,energy) +! endif end subroutine run_pt2_slave_small(thread,iproc,energy)