[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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