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quantum_package
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Stabilized parallel calculations

This commit is contained in:
Anthony Scemama 2017-11-27 02:04:05 +01:00
parent 3aeff1b2b1
commit 99cbe9cfe3
2 changed files with 6 additions and 5 deletions
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2
src/Determinants/determinants.irp.f
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@ -511,8 +511,8 @@ subroutine save_wavefunction_general(ndet,nstates,psidet,dim_psicoef,psicoef)
enddo
call ezfio_set_determinants_psi_coef(psi_coef_save)
call write_int(output_determinants,ndet,'Saved determinants')
deallocate (psi_coef_save)
call write_int(output_determinants,ndet,'Saved determinants')
end

9
src/ZMQ/utils.irp.f
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@ -599,6 +599,7 @@ subroutine end_parallel_job(zmq_to_qp_run_socket,name_in)
stop 'Wrong end of job'
endif
call sleep(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, zmq_state, 2, 0)
if (rc /= 2) then
@ -925,9 +926,9 @@ subroutine zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more)
character*(512) :: msg
write(msg,*) 'del_task ', zmq_state, task_id
rc = f77_zmq_send(zmq_to_qp_run_socket,msg,512,0)
if (rc /= 512) then
print *, 'f77_zmq_send(zmq_to_qp_run_socket,task_id,4,0)'
rc = f77_zmq_send(zmq_to_qp_run_socket,trim(msg),len(trim(msg)),0)
if (rc /= len(trim(msg))) then
print *, irp_here
stop 'error'
endif
@ -946,7 +947,7 @@ subroutine zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more)
! endif
else
print *, reply
print *, 'f77_zmq_recv(zmq_to_qp_run_socket,reply,64,0)'
print *, irp_here
stop 'error'
endif
end