[gmx-users] RESTARTING THE CALCULATION

[Neha Gupta]

Hi,

I gave

gmx mdrun -s md.tpr -cpi md_step17960400.cpt

It says, Checkpoint file corrupted or truncated or you are out of disk
space?

I have deleted files of higher MB. Why the problem persists?

Thanks,
Neha

On Sun, Mar 11, 2018 at 10:55 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Exactly as you ran the original simulation, plus pass the name of the
> latest checkpoint file to -cpi. Back up your files first.
>
> Mark
>
> On Sun, Mar 11, 2018 at 6:18 PM Neha Gupta <nehaphysics17 at gmail.com>
> wrote:
>
> > Hi gromacs users,
> >
> > I wanted to do simulations fro 50 ns.
> >
> > But, due to lack of disk space, it abruptly stopped.
> >
> >
> > I have md.xtc, md.cpt, md.log, md_step17960400.cpt, md_prev.cpt.
> >
> > How to restart the calculation and complete it successfully?
> >
> > Thanks,
> > Neha
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>