From 0af043390cc579b251cab7c67f5e5da1222fb503 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 18 Apr 2017 18:55:51 +0200 Subject: [PATCH] Tuned davidson --- src/Davidson/davidson_parallel.irp.f | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/src/Davidson/davidson_parallel.irp.f b/src/Davidson/davidson_parallel.irp.f index 16ea5847..08f90639 100644 --- a/src/Davidson/davidson_parallel.irp.f +++ b/src/Davidson/davidson_parallel.irp.f @@ -106,7 +106,8 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze_ endif if (N_det_read /= N_det) then - stop 'error : N_det' + N_det = N_det_read + TOUCH N_det endif 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 istep=2 - do imin=1,N_det, 262144 + do imin=1,N_det, 1048576 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, '|' call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task)) enddo