[gmx-users] problem with cluster
Nguyen Hoang Phuong
phuong at theochem.uni-frankfurt.de
Wed Apr 13 15:09:38 CEST 2005
we have a new cluster consists of 11 Intel cpus with hyperthreading. I
have some problems with running gromacs on this cluster:
a) When I submit a job, it is distributed at random on 2 cpus (I asked for
2 cpus). How can I run the job on specific cpus?
b) The cpus which run the mdrun program alway work with about 40% of
power. How can I increase the power of the cpus?
Thank you very much in advance for any hint.
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