From 2a6c1941d45be78083ec8c1dccb453f51a12c338 Mon Sep 17 00:00:00 2001 From: Yann Garniron Date: Thu, 30 Aug 2018 11:43:11 +0200 Subject: [PATCH] corrected when relative_error=0d0 --- plugins/dress_zmq/dress_stoch_routines.irp.f | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/plugins/dress_zmq/dress_stoch_routines.irp.f b/plugins/dress_zmq/dress_stoch_routines.irp.f index a9577e72..767c4598 100644 --- a/plugins/dress_zmq/dress_stoch_routines.irp.f +++ b/plugins/dress_zmq/dress_stoch_routines.irp.f @@ -383,7 +383,8 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2, S2(:) = 0d0 time0 = omp_get_wtime() more = 1 - do while (m <= dress_N_cp .and. more == 1) + do while (m <= dress_N_cp) + if(more == 0 .and. dot_f(m) /= 0) exit if(dot_f(m) == 0) then E0 = 0 do i=dress_dot_n_0(m),1,-1 @@ -408,7 +409,8 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2, time = omp_get_wtime() print '(G10.3, 2X, F16.10, 2X, G16.3, 2X, F16.4, A20)', c, avg+E0+E(dress_stoch_istate), eqt, time-time0, '' m += 1 - if(eqt < relative_error) then + if(eqt <= relative_error) then + print *, "ABORT" if (zmq_abort(zmq_to_qp_run_socket) == -1) then call sleep(1) if (zmq_abort(zmq_to_qp_run_socket) == -1) then