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

Ray Chao xiaoainisa at gmail.com
Sun Feb 14 01:15:52 CET 2016

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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