[gmx-users] Running all the processors in HPC

Santhosh Kumar Nagarajan santhoshrajan90 at gmail.com
Mon Jun 27 06:15:54 CEST 2016


Hi,
I am trying to run a 'Protein-Ligand' complex in our university's HPC.
There are 32 processors in the cluster. But, while running mdrun it runs in
only one CPU. How to cluster all the processors in the HPC? I have searched
internet with no luck.

The version is 4.6. I also tried running logged in as root.

Best regards,

Santhosh.


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