[CPMD-list] CPMD on SGI Altix / Redhat Linux

[B.D Allen]

Hi,
 I'm new to  CPMD and would like some advice on building it for our new
SGI Altix system. There's no option in the configure script to
automatically generate a makefile, so I've been trying the Linux IA64
build, which builds without errors, but crashes when I try to execute a
job. The errors are something to do with unaligned access.What I would
really like to do is use shared memory in parallel. I would like to know
if anybody has successfully built a full parallel CPMD version with shared
memory on a Linux SGI Altix. And if so, I would appreciate knowing what
makefile settings, libraries etc were used.

Thanks in advance

Ben



Ben Allen
Molecular Photonics Laboratory
School of Natural Sciences
Bedson Building
University Of Newcastle Upon Tyne
Newcastle Upon Tyne
NE1 7RU

+44 (0)191 2226485