[gmx-users] Can we convert one job into many serial jobs?

Zhang, Cheng c.zhang.11 at ucl.ac.uk
Mon May 25 16:07:50 CEST 2015


I am now using openmpi nodes to run GROMACS (e.g. mdrun_mpi) on our cluster. When the nodes required are too many (e.g. more than 8), jobs always take a long time to wait in the queue. So I wonder if there is a possibility that we can

1) convert the job into many serial jobs?

2) convert the job into several openmpi jobs but with only 1 node in each job?

When serial jobs are submitted, hundreds of jobs can be run within just a few minutes.

Thank you very much.

Yours sincerely


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