PC GAMESS-related discussion club

Alex Granovsky
gran@classic.chem.msu.su

some minor comments to all involved into discussion:

1. -t switch requires one only one argument, the base of the
temporary file dirs. E.g., if it is: -t /tmp/pcg, each PC GAMESS
instance will create directory /tmp/pcg.#nodenumber and will use
it for scratch files. Thus you'll get directories /tmp/pcg.0, tmp/pcg.1,
etc... This resolves any possible conflicts with scratch files.

2. If you are using the alternative syntax with explicit directories
list, they should exist prior to PC GAMESS execution and they should
be chosen so that to avoid any scratch file conflicts - i.e., they
should all be different on the same node

3. Temporary directories should always reside on the local filesystems.

4. MPICH PC GAMESS executable which is dynamically linked is linked
statically against mpich libraries and dynamically against all other,
system libraries. This allow PC GAMESS to run in parallel or in
sequential mode even without installed MPICH at all. Other PC
GAMESS/dynamically linked versions are linked dynamically with MPI
libraries they use.

Regards,
Alex Granovsky

[ This message was edited on Sun May 11 '08 by the author ]