LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2025-01-08 20:33:26 +01:00
Code Issues Releases Wiki Activity

Tuned davidson

Browse Source
This commit is contained in:
Anthony Scemama 2017-04-18 18:55:51 +02:00
parent b4aef21b50
commit 0af043390c
1 changed files with 4 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

7
src/Davidson/davidson_parallel.irp.f
View File

@ -106,7 +106,8 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze_
endif endif
if (N_det_read /= N_det) then if (N_det_read /= N_det) then
stop 'error : N_det' N_det = N_det_read
TOUCH N_det
endif endif
rc = f77_zmq_recv(zmq_to_qp_run_socket,psi_det,N_int*2*N_det*bit_kind,0) rc = f77_zmq_recv(zmq_to_qp_run_socket,psi_det,N_int*2*N_det*bit_kind,0)
@ -339,9 +340,9 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze_8)
integer :: istep, imin, imax, ishift integer :: istep, imin, imax, ishift
istep=2 istep=2
do imin=1,N_det, 262144 do imin=1,N_det, 1048576
do ishift=0,istep-1 do ishift=0,istep-1
imax = min(N_det, imin+262144-1) imax = min(N_det, imin+1048576-1)
write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|' write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|'
call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task)) call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task))
enddo enddo