[gmx-users] mdrun did not support large file offsets

Bert zhoubo81 at gmail.com
Thu Aug 18 06:36:20 CEST 2011

Dear gmx-users,

   When I continued a run on my x86_64 linux clusters using the command
"mdrun -deffnm prod -cpi prod.cpt -append", I got the errors as below:

Program mdrun, VERSION 4.5.4
Source code file: checkpoint.c, line: 1734
Fatal error:
The original run wrote a file called 'prod.xtc' which is larger than 2 GB,
but mdrun did not support large file offsets. Can not append. Run mdrun with
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

I also tried to recompile gromacs with alternative option
--enable-largefile, but it still could not work. Then I compared the
config.log generated using --enable-largefile and --disable-largefile
(default) after configured, however, the two files were almost the same.

How to solve this problem? Any suggestions are appreciated. Thanks in

Best regards,

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