PC GAMESS-related discussion club

Avishai Ish-Shalom
avishaii@huji.ac.il

i've set pcgamess to run in parallel on a 6 node quad core cluster. when runing the command:
~> /opt/pcgamess_dyn/pcgamess -i input -r -f -b /opt/pcgamess/basis_sets/cc-pvdz.lib -ex /opt/pcgamess_dyn -p4pg ~/pgfile /home/scr/avishai /home/scr/avishai /home/scr/avishai /home/scr/avishai /home/scr/avishai /home/scr/avishai /home/scr/avishai /home/scr/avishai /home/scr/avishai /home/scr/avishai
or the equivalent mpirun form, pcgamess runs fine. however, when using the -t switch instead of listing the 6 temp directories, pcgamess just hangs and works forever.

a second related question - if running pcgamess on more than one core of a node, will the -t switch work? the docs say -t directory will be the same for each node, however if a node is running multiple pcgamess sessions using the same directory that could cause problems...

almost forgot, i'm running sles 10sp1 on all nodes, core2 quad cpu's using kernel 2.6.16, mpich 1.2.7 and pcgamess 7.15 dynamically linked to mpich.

regards,
avishai