[gmx-users] mdrun not working

Mark Abraham mark.j.abraham at gmail.com
Tue Aug 23 18:40:49 CEST 2016


If the disk is full, just starting mdrun again isn't going to help. mdrun
needs to write to disk, so you need to free some space.


On Mon, Aug 22, 2016 at 11:11 AM vivek naik <vivek.adishankara at gmail.com>

> Dear users,
> I was carrying out simulations using Gromacs-LS. It is a flavored version
> of 4.5.5 with local stress calculation. But I am sure the problem is
> something to do with the binary writing part of the gromacs.
> So this is what happened:
> I was carrying out a simulation when the hard disk was filled up with no
> more space. So the simulation stopped. Now it is not able to run any tpr
> file. even the ones that were running smoothly earlier.
> I thought this was some linking problem to the library which print the
> binary file. Therefore, I recompiled and reinstalled the whole thing again.
> I am working on Ubuntu. I cant even say if this is a valid issue.
> Best Regards
> --
> Vivek Naik.
> --
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