LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
Code Releases Activity

istep in davidson_parallel

Browse Source
This commit is contained in:
Anthony Scemama 2020-04-21 01:02:48 +02:00
parent b8a29beaf6
commit b1673f66a8
2 changed files with 6 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
src/davidson/davidson_parallel.irp.f
View File

@ -438,6 +438,11 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze)
ipos=1
do imin=1,N_det,tasksize
imax = min(N_det,imin-1+tasksize)
if (imin==1) then
istep = 2
else
istep = 1
endif
do ishift=0,istep-1
write(task(ipos:ipos+50),'(4(I11,1X),1X,1A)') imin, imax, ishift, istep, '|'
ipos = ipos+50

2
src/zmq/utils.irp.f
View File

@ -585,7 +585,7 @@ subroutine end_parallel_job(zmq_to_qp_run_socket,zmq_socket_pull,name_in)
stop 'Wrong end of job'
endif
do i=3600,1,-1
do i=360,1,-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, message, 512, 0)
if (trim(message(1:13)) == 'error waiting') then