[gmx-users] Checking files .xtc .trr .edr

[Erik Lindahl]

Alan Wilter Sousa da Silva wrote:

>Hi List!
>
>	I run GMX in a cluster and some processors write files via NFS.
>However, the NFS server crashed, stoped for a while and then was rebooted.
>How could I be sure whether my .xtc .trr and .edr files was, or not,
>corrupted?  I kept the jobs running.
>  
>

If you use hard NFS mounts (the default, never EVER use soft...) you 
should be perfectly OK. The client will just continute trying to write 
until the server comes up again, without dropping any data.

If you are thinking of file system problems, run fsck, and possible test 
trajectories with gmxcheck. If it gets to the last frame you should 
probably be ok; I've never seen an error that silently corrupts the data 
while maintaining the overall structure...

Cheers,

Erik