[gmx-users] File input/output error

[Sabyasachi Sahoo]

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
error?

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