From f9b9b9a8769753ae31379200eb72a2cf5d1b9b9f Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 5 May 2017 15:54:08 +0200 Subject: [PATCH] Fixed tests --- plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f | 4 ++-- plugins/Full_CI_ZMQ/run_selection_slave.irp.f | 6 ++++-- plugins/Full_CI_ZMQ/zmq_selection.irp.f | 2 +- src/Bitmask/bitmasks.irp.f | 3 --- 4 files changed, 7 insertions(+), 8 deletions(-) diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index 3ad26112..c6eb0c2a 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -258,7 +258,7 @@ subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, time = omp_get_wtime() - if(time - timeLast > 3d0 .or. more /= 1) then + if(time - timeLast > 10d0 .or. more /= 1) then timeLast = time do i=1, first_det_of_teeth(1)-1 if(.not.(actually_computed(i))) then @@ -331,7 +331,7 @@ end function BEGIN_PROVIDER [ integer, comb_teeth ] implicit none - comb_teeth = 100 + comb_teeth = 200 END_PROVIDER diff --git a/plugins/Full_CI_ZMQ/run_selection_slave.irp.f b/plugins/Full_CI_ZMQ/run_selection_slave.irp.f index 6e08bb2f..eb8572f3 100644 --- a/plugins/Full_CI_ZMQ/run_selection_slave.irp.f +++ b/plugins/Full_CI_ZMQ/run_selection_slave.irp.f @@ -74,8 +74,10 @@ subroutine run_selection_slave(thread,iproc,energy) call disconnect_from_taskserver(zmq_to_qp_run_socket,zmq_socket_push,worker_id) call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket) call end_zmq_push_socket(zmq_socket_push,thread) - call delete_selection_buffer(buf) - call delete_selection_buffer(buf2) + if (buf%N > 0) then + call delete_selection_buffer(buf) + call delete_selection_buffer(buf2) + endif end subroutine diff --git a/plugins/Full_CI_ZMQ/zmq_selection.irp.f b/plugins/Full_CI_ZMQ/zmq_selection.irp.f index 25b11b68..f578f338 100644 --- a/plugins/Full_CI_ZMQ/zmq_selection.irp.f +++ b/plugins/Full_CI_ZMQ/zmq_selection.irp.f @@ -119,8 +119,8 @@ subroutine selection_collector(b, N, pt2) call delete_selection_buffer(b2) + call sort_selection_buffer(b) call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket) call end_zmq_pull_socket(zmq_socket_pull) - call sort_selection_buffer(b) end subroutine diff --git a/src/Bitmask/bitmasks.irp.f b/src/Bitmask/bitmasks.irp.f index e50cf25a..f7b20897 100644 --- a/src/Bitmask/bitmasks.irp.f +++ b/src/Bitmask/bitmasks.irp.f @@ -315,10 +315,7 @@ BEGIN_PROVIDER [ integer(bit_kind), cas_bitmask, (N_int,2,N_cas_bitmask) ] call ezfio_has_bitmasks_cas(exists) if (exists) then - print*,'---------------------' - print*,'CAS BITMASK RESTART' call ezfio_get_bitmasks_cas(cas_bitmask) - print*,'---------------------' else if(N_generators_bitmask == 1)then do j=1, N_cas_bitmask