[gmx-users] The problem of .trr file size limit?

Matthew Zwier mczwier at gmail.com
Fri May 6 21:54:35 CEST 2011

The filesystem you're storing on may not allow single files larger
than 16.0 GB.  What filesystem are you using?  ext3?

Also, do you really need to write such a large TRR file?  Can you
store to the TRR file less frequently (for restarts, etc) and store to
XTC instead?  You'll get *much* more information stored in the same
amount of space that way.

Matt Z.

2011/5/6 gromacs564 <gromacs564 at 126.com>:
> Hello, everyone
>      I submit a job with gromacs-4.5.4 in cluster ,but the md.trr file can
> not  write if the file size more than 17247,252,480K(about 16.06G)?
>     and the program always output :"Cannot write trajectory frame; maybe you
> are out of quota?" There is sufficient disk space,and the system is redhat
> 64. Could you give me some solutions? Thanks!
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