[gmx-users] problem with cluster

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Wed Apr 13 15:09:38 CEST 2005

Dear All,

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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