[gmx-users] try to restart a md run using cpt file

Justin A. Lemkul jalemkul at vt.edu
Tue Nov 3 18:47:41 CET 2009

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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