LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-02 11:25:26 +02:00
Code Issues Releases Wiki Activity

Memory control not needed on slaves

Browse Source
This commit is contained in:
Anthony Scemama 2018-09-23 22:27:41 +02:00
parent 5e19eb4aaa
commit 2058af1af5
1 changed files with 0 additions and 18 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

18
src/Davidson/davidson_parallel.irp.f
View File

@ -13,24 +13,6 @@ end
subroutine davidson_slave_tcp(i)
implicit none
integer, intent(in) :: i
integer :: nproc_target
double precision :: r1
if (qp_max_mem > 0) then
nproc_target = nproc
r1 = 8.d0*(3.d0*dble(N_det*N_states_diag) &
+ nproc_target*(4.d0*N_det_alpha_unique+2.d0*N_states_diag*N_det))/(1024.d0**3)
do while (r1 > qp_max_mem)
nproc_target = nproc_target - 1
r1 = 8.d0*(3.d0*dble(N_det*N_states_diag) &
+ nproc_target*(4.d0*N_det_alpha_unique+2.d0*N_states_diag*N_det))/(1024.d0**3)
if (nproc_target == 0) then
nproc_target = 1
exit
endif
enddo
call omp_set_num_threads(nproc_target)
call write_int(6,nproc_target,'Number of threads for diagonalization')
endif
call davidson_run_slave(0,i)
end