From fb836d063e6d429f8a44c48162cca97d8c364d1b Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 25 Sep 2018 12:49:47 +0200 Subject: [PATCH] Bug --- plugins/Full_CI_ZMQ/fci_zmq.irp.f | 4 ++-- src/Davidson/davidson_parallel.irp.f | 4 +--- src/ZMQ/put_get.irp.f | 2 +- 3 files changed, 4 insertions(+), 6 deletions(-) diff --git a/plugins/Full_CI_ZMQ/fci_zmq.irp.f b/plugins/Full_CI_ZMQ/fci_zmq.irp.f index 0ec775a9..91adeea0 100644 --- a/plugins/Full_CI_ZMQ/fci_zmq.irp.f +++ b/plugins/Full_CI_ZMQ/fci_zmq.irp.f @@ -21,8 +21,8 @@ program fci_zmq threshold_davidson = threshold_davidson_in * 100.d0 SOFT_TOUCH threshold_davidson -! call diagonalize_CI -! call save_wavefunction + call diagonalize_CI + call save_wavefunction call ezfio_has_hartree_fock_energy(has) if (has) then diff --git a/src/Davidson/davidson_parallel.irp.f b/src/Davidson/davidson_parallel.irp.f index 01f8b9cc..889eb750 100644 --- a/src/Davidson/davidson_parallel.irp.f +++ b/src/Davidson/davidson_parallel.irp.f @@ -124,7 +124,6 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze, do integer, external :: get_task_from_taskserver integer, external :: task_done_to_taskserver - call sleep(1) if (get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, msg) == -1) then exit endif @@ -356,14 +355,13 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze) ! ============ integer :: istep, imin, imax, ishift - double precision :: w, max_workload, N_det_inv, di + double precision :: w, max_workload, N_det_inv integer, external :: add_task_to_taskserver w = 0.d0 istep=1 ishift=0 imin=1 N_det_inv = 1.d0/dble(N_det) - di = dble(N_det) max_workload = 50000.d0 do imax=1,N_det w = w + 1.d0 diff --git a/src/ZMQ/put_get.irp.f b/src/ZMQ/put_get.irp.f index 70969f52..69acb107 100644 --- a/src/ZMQ/put_get.irp.f +++ b/src/ZMQ/put_get.irp.f @@ -224,7 +224,7 @@ integer function zmq_put8_dvector(zmq_to_qp_run_socket, worker_id, name, x, size rc = f77_zmq_send8(zmq_to_qp_run_socket,x,size_x*8_8,0) if (rc /= size_x*8_8) then - print *, 'Failed in send ', rc, size_x*8, size_x, N_det + print *, 'Failed in send ', rc, size_x*8, size_x zmq_put8_dvector = -1 return endif