[gmx-users] gromacs 4.6.4 version - nvt equilibration error

Mark Abraham mark.j.abraham at gmail.com
Wed Nov 20 11:35:38 CET 2013


The usual reason for a transient error like this is a flaky file system.
Try running on disk that is local to the compute node.

Mark
On Nov 20, 2013 5:01 AM, "vansh" <vsharma at imtech.res.in> wrote:

> yes i tried running simulations from other partition and i do have write
> access to the directory.
>
> i tried with gromacs 4.5.5 installed from the repository and it worked fine
> there.
>
> -----
> thanks in advance :)
> --
> View this message in context:
> http://gromacs.5086.x6.nabble.com/gromacs-4-6-4-version-nvt-equilibration-error-tp5012643p5012672.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> --
> 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.
>


More information about the gromacs.org_gmx-users mailing list