Dear CCLers,
I am having some troubles in using many processors,
%NProcLinda= 8 or more,
for large molecular systems (more than than 60 atoms)
for G03/linda. In those
cases, only one node work and other nodes assigned to
are idle all the time.
But for small jobs(less atoms) with less CPU
procesors, like %NProcLinda=4 or
less, the job is paralleling well. Does
anybody have any experience about this
G03/linda parallel problem? Our
computer system are PC clusters with 128
Dual-Xeon Nodes. The details are
shown in the following pages. We are using
PBS for job sumitting.
http://www.hku.hk/cc_news/ccnews106/hpcpower.htmhttp://www.hku.hk/cc/ccsystem/hpcpowerThanks
in advance.
P.S. Our administrator can not solve
the problem right now and wish to get a
solution from the vendor.
Dr.
Cunyuan Zhao
Department of Chemistry
The University of Hong Kong, Hong
Kong
Email: zhaocy!at!hkucc.hku.hk
Tel:(852)2859 8947