[gmx-users] mdrun not working
vivek.adishankara at gmail.com
Tue Aug 23 19:25:10 CEST 2016
I did all the disk cleaning. Now it has more than enough space...
But mdrun seems to be stuck after starting at just the last point where the
simulation is supposed to run.
On Tue, Aug 23, 2016 at 10:10 PM, Mark Abraham <mark.j.abraham at gmail.com>
> 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
> > I am working on Ubuntu. I cant even say if this is a valid issue.
> > Best Regards
> > --
> > Vivek Naik.
> > --
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