LCPQ/quantum_package
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Bug

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This commit is contained in:
Anthony Scemama 2018-09-25 12:49:47 +02:00
parent 4a48a6b94f
commit fb836d063e
3 changed files with 4 additions and 6 deletions
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4
plugins/Full_CI_ZMQ/fci_zmq.irp.f
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@ -21,8 +21,8 @@ program fci_zmq
threshold_davidson = threshold_davidson_in * 100.d0 threshold_davidson = threshold_davidson_in * 100.d0
SOFT_TOUCH threshold_davidson SOFT_TOUCH threshold_davidson
! call diagonalize_CI call diagonalize_CI
! call save_wavefunction call save_wavefunction
call ezfio_has_hartree_fock_energy(has) call ezfio_has_hartree_fock_energy(has)
if (has) then if (has) then

4
src/Davidson/davidson_parallel.irp.f
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@ -124,7 +124,6 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze,
do do
integer, external :: get_task_from_taskserver integer, external :: get_task_from_taskserver
integer, external :: task_done_to_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 if (get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, msg) == -1) then
exit exit
endif 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 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 integer, external :: add_task_to_taskserver
w = 0.d0 w = 0.d0
istep=1 istep=1
ishift=0 ishift=0
imin=1 imin=1
N_det_inv = 1.d0/dble(N_det) N_det_inv = 1.d0/dble(N_det)
di = dble(N_det)
max_workload = 50000.d0 max_workload = 50000.d0
do imax=1,N_det do imax=1,N_det
w = w + 1.d0 w = w + 1.d0

2
src/ZMQ/put_get.irp.f
View File

@ -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) rc = f77_zmq_send8(zmq_to_qp_run_socket,x,size_x*8_8,0)
if (rc /= size_x*8_8) then 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 zmq_put8_dvector = -1
return return
endif endif