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 -- 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-requ...@gromacs.org.
