PC GAMESS-related discussion club

Alex Granovsky
gran@classic.chem.msu.su

Linux mpich-linked version:

just create the proper procgrp file and add the following to the end of the command line options:

 -p4pg /home/pasquale/pcg.pg

assuming the procgrp file is called pcg.pg and is in /home/pasquale directory

Windows version:

0. Read readme.bindings, readme.commandline, and readme.parallel.windows.nt-mpich-smp

1. Copy mpibind.nt-mpich-smp.dll into the mpibind.dll in the PC GAMESS installation folder, overwriting the default version of the mpibind.dll.

2. Add -np 2 or whatsoever you want to the end of the PC GAMESS command line

Best regards,
Alex Granovsky


On Sun Mar 9 '08, Pasquale wrote
--------------------------------
>Hi,

>>yes, in this case aoints will be sptitted between several disks if running PC GAMESS in parallel. You can also try to create software or hardware RAID volume to overcome disk space limitation, or just switch to direct calculations.
>
>
>
>By the way, I am using the parallel version of pcgamess (pcgamess as downloaded) and I tried to use 2 directories but aoints is stored only in one! I used the sintax you suggested. I have an Intel dual core 2 processor. From task manager, it seem that only one processor is used (CPU time at least 50%, also for direct runs). Do you have some hints to give me?