[gmx-users] File input/output error

Sabyasachi Sahoo ssahoo.iisc at gmail.com
Mon Sep 28 16:00:01 CEST 2015

Dear Gromacs-users,
I am trying to run simulation of a protein on our CRAY XC40 supercomputer
and while running simulation (using mdrun) for nvt npt simulations, and
production runs, I am getting the following error:

File input/output error:
Cannot rename checkpoint file; maybe you are out of disk space?
For more information and tips for troubleshooting, please check the GROMACS

One thing to note is, while doing energy minimization using mdrun, I didn't
get this error, and I possibly couldn't have run out of disk space, since I
still have more than 1 TB of free space allotted to me. Can anyone please
suggest where could have I gone wrong or what can I do to rectify this

Yours sincerely,
Sabyasachi Sahoo
Supercomputer Education & Research Center
Indian Institute of Science - Bangalore

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