From b4aef21b50e44efe5d58d09d242fa6c4663d7a29 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 18 Apr 2017 18:41:07 +0200 Subject: [PATCH] Tuned davidson --- src/Davidson/davidson_parallel.irp.f | 30 ++++++++++++++-------------- src/Davidson/davidson_slave.irp.f | 2 +- 2 files changed, 16 insertions(+), 16 deletions(-) diff --git a/src/Davidson/davidson_parallel.irp.f b/src/Davidson/davidson_parallel.irp.f index 4c0bfb4c..16ea5847 100644 --- a/src/Davidson/davidson_parallel.irp.f +++ b/src/Davidson/davidson_parallel.irp.f @@ -338,22 +338,22 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze_8) integer :: istep, imin, imax, ishift -! istep=1 -! do imin=1,N_det, 524288 -! do ishift=0,istep-1 -! imax = min(N_det, imin+524288-1) -! write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|' -! call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task)) -! enddo -! enddo - - istep=N_det/131072+1 - imin=1 - imax=N_det - do ishift=0,istep-1 - write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|' - call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task)) + istep=2 + do imin=1,N_det, 262144 + do ishift=0,istep-1 + imax = min(N_det, imin+262144-1) + write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|' + call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task)) + enddo enddo + +! istep=2 +! imin=1 +! imax=N_det +! do ishift=0,istep-1 +! write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|' +! call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task)) +! enddo v_0 = 0.d0 s_0 = 0.d0 diff --git a/src/Davidson/davidson_slave.irp.f b/src/Davidson/davidson_slave.irp.f index d0be9a37..e917c664 100644 --- a/src/Davidson/davidson_slave.irp.f +++ b/src/Davidson/davidson_slave.irp.f @@ -26,6 +26,6 @@ program davidson_slave end subroutine provide_everything - PROVIDE mo_bielec_integrals_in_map psi_det_sorted_bit N_states_diag zmq_context + PROVIDE mo_bielec_integrals_in_map psi_det_sorted_bit N_states_diag zmq_context ref_bitmask_energy end subroutine