From b1673f66a844cfe6dc5f5b558368d596f037fc56 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 21 Apr 2020 01:02:48 +0200 Subject: [PATCH] istep in davidson_parallel --- src/davidson/davidson_parallel.irp.f | 5 +++++ src/zmq/utils.irp.f | 2 +- 2 files changed, 6 insertions(+), 1 deletion(-) diff --git a/src/davidson/davidson_parallel.irp.f b/src/davidson/davidson_parallel.irp.f index c0d94b35..aed81063 100644 --- a/src/davidson/davidson_parallel.irp.f +++ b/src/davidson/davidson_parallel.irp.f @@ -438,6 +438,11 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze) ipos=1 do imin=1,N_det,tasksize imax = min(N_det,imin-1+tasksize) + if (imin==1) then + istep = 2 + else + istep = 1 + endif do ishift=0,istep-1 write(task(ipos:ipos+50),'(4(I11,1X),1X,1A)') imin, imax, ishift, istep, '|' ipos = ipos+50 diff --git a/src/zmq/utils.irp.f b/src/zmq/utils.irp.f index fc6f2ba6..67b386e5 100644 --- a/src/zmq/utils.irp.f +++ b/src/zmq/utils.irp.f @@ -585,7 +585,7 @@ subroutine end_parallel_job(zmq_to_qp_run_socket,zmq_socket_pull,name_in) stop 'Wrong end of job' endif - do i=3600,1,-1 + do i=360,1,-1 rc = f77_zmq_send(zmq_to_qp_run_socket, 'end_job '//trim(zmq_state),8+len(trim(zmq_state)),0) rc = f77_zmq_recv(zmq_to_qp_run_socket, message, 512, 0) if (trim(message(1:13)) == 'error waiting') then