sheerychen wrote:
Hello, I have a problem when I restrat of mdrun (Gromacs 4.0) using the
following command:
mdrun -deffnm Asp -cpi -append.
The errors like this:
eading checkpoint file Asp_md.cpt generated: Wed Mar 11 19:16:24 2009
Build time mismatch,
current program: Thu Mar 5 17:52:53 CET 2009
checkpoint file: Fri Jan 30 17:05:24 CET 2009
#PP-nodes mismatch,
current program: 2
checkpoint file: 1
Gromacs binary or parallel settings not identical to previous run.
Continuation still works, but is not guaranteed to be binary identical.
-------------------------------------------------------
Program mdrun, VERSION 4.0.3
Source code file: checkpoint.c, line: 1238
Fatal error:
Truncation of file Asp_md.trr failed.
---------------------------------------------------
Anybody has some suggestions?
Like "built time mismatch" is telling you, you are using a different
version of GROMACS before and after, and the checkpointing mechanism
doesn't like that. Clean up your house and things might work properly :-)
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.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
