[CPMD-list] Problem using CPMD parallel version
oksana ismailova
o.ismailova at rambler.ru
Thu Mar 6 17:43:53 CET 2008
Dear CPMD users and experts,
I have problem using CPMD parallel version.
The specs are as follows:
Compiler: pgf90 version 5.2-4
RAM: 2GB
CPU: AMD Opteron 248 (2.2 GHz) (AMD64)
OS: SUSE 9.0
Compiled using libatlas_x86_64.a from:
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/files/atlas/libatlas_
x86_64.a
The problem is most of CPUs are idle.
For instance, I submit job on 10 CPUs, but 9 of them are idle, however 1
CPUs isn't enough memory (job stop with Error indicates have to use
more words).
Could you please give ideas to solute this problem and advices how to
reinstall CPMD parallel version.
Thanks in advance,
best regards,
oksana
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