[gmx-users] Simulation Terminated on Clusters Due to "cannot rename checkpoint file"

Mark Abraham mark.j.abraham at gmail.com
Sun Feb 14 09:48:19 CET 2016


You need write permission for the folder as well. Thus, run in your own
file space.


On Sun, 14 Feb 2016 01:16 Ray Chao <xiaoainisa at gmail.com> wrote:

> D​ear gmx users,
> Just a little revision for my last question.
> I am running my cases on the cluster. The simulation was always terminated
> after running for a while. The error was always "
> *cannot rename checkpoint file: maybe you are out of disk space*". However,
> I have 1TB of disk
> allocation, which is enough,  and the disk is in good condition. Besides, I
> created the .top .gro .mdp files on my own workstation and also changed the
> permission from "read-only" to "read and write".  The gromacs version is
> 5.0.2 or 5.1.2 on the clusters.
> Is there any specific requirement about running gromacs on clusters? Your
> response is very much appreciated.​
> You all have a good Valentine's day.
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