Re: [gmx-users] try to restart a md run using cpt file
Thielges, Sabine wrote: Reading file md_20_100_s_IP_beta.tpr, VERSION 4.0.3 (single precision) Reading checkpoint file md_20_100_s_IP_beta_prev.cpt generated: Sat Oct 31 12:34:46 2009 --- Program mdrun.MPI, VERSION 4.0.3 Source code file: checkpoint.c, line: 1238 Fatal error: Truncation of file md_20_100_s_IP_beta.trr failed. --- This issue has come up before. You can check the integrity of the .trr file with gmxcheck; there may be an incomplete frame. You might also consider upgrading to the latest version (4.0.5) and try again, otherwise if this is a bug (I can't remember), it would only be fixed in the development code in the git repository. -Justin -- Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] try to restart a md run using cpt file
Paymon Pirzadeh wrote: Hello, To restart a run for continuation, which .cpt file should be used? the one with the outputname.cpt or the outputname_prev.cpt? The most recent. The _prev name indicates that it is a backup in case the newest one fails or has a problem. Run gmxcheck on each of them to see for yourself. -Justin -- Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] try to restart a md run using cpt file
Hello, To restart a run for continuation, which .cpt file should be used? the one with the outputname.cpt or the outputname_prev.cpt? Payman ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
