On 11/1/19 7:40 AM, Shradheya R.R. Gupta wrote:
Respected Researchers, I am trying to run GROMACS in parallel. So I have established connection using ssh, nfs and openmpi. The connection is working fine as I have run Autodock Vina-MPI and other test files. I have installed the GROMACS in the mounted directory which is shared by all the computers (not in individual computer). When I run GROMACS in parallel it is showing 10 minutes for 10ps and when run on single computer it is showing 5 minutes. How to resolve this issue?
Without knowing how GROMACS was installed, what your mdrun commands were, and the contents of the relevant .log files, no one can provide you any insight here. It may also be worth consulting your sysadmin for advice specific to your cluster.
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