Dear Molpro List: I am trying to get my Molpro to work on a many two-proc node cluster. Right now, if I run molpro with -n2 on one node, it runs great.
The problem occurs when I try to run on two or more nodes. Now, note that tcgmsg/parallel works great for all nodes with that test.x program in the GA distribution. But molpro fails. For example, using -n4 and two nodes qsub borks with this: :: PROCGRP file /data/procgrp.00030948 :: :: thompsma keck2 2 /home/other/thompsma/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_tcgmsg.exe /data :: thompsma keck37 2 /home/other/thompsma/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_tcgmsg.exe /data cd /data/ long output file: /home/other/thompsma/QChem/normal_dft.log /home/other/thompsma/lib/molpro-mpp-Linux-i686-i4-2002.6/parallel /home/other/thompsma/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_tcgmsg.exe keck37: Connection refused 4: interrupt(1) 0: interrupt(1) 1: interrupt(1) status=256 Now, the PROCGRP part is spot on perfect. It's what I would create for a .p file for tcgmsg/parallel. As for the "keck37: Connection refused", that shouldn't be. I can ssh/rsh to every node just fine and all the needed keys are in .ssh/authorized_keys2. And, as I said, parallel test.x works great on all nodes (and with an identical PROCGRP, albeit with a different application field). So, why is parallel molpro failing where parallel test.x succeeds? Any help will be much appreciated. Thanks, Matt Thompson -- "And isn't sanity really just a one-trick pony, anyway? I mean, all you get is one trick, rational thinking, but when you're good and crazy, ooh ooh ooh, the sky's the limit!" -- The Tick The Matt -- http://ucsub.colorado.edu/~thompsma/
