subject:"\[gmx\-users\] Running all the processors in HPC"

Re: [gmx-users] Running all the processors in HPC

2016-06-27 Thread Smith, Micholas D.

M To: gmx-us...@gromacs.org Subject: [gmx-users] Running all the processors in HPC 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 searc

[gmx-users] Running all the processors in HPC

2016-06-26 Thread Santhosh Kumar Nagarajan

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