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

[Justin A. Lemkul]

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

========================================