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Fixed parallel selection with a huge nb of slaves

This commit is contained in:
Anthony Scemama 2019-12-17 11:27:35 +01:00
parent 0b2fe07290
commit 172e245543

View File

@ -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)