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

[Bert]

Dear all,

When I compile gromacs using cmake, no large file related option was found
in the cmake interface, however, I found the option for large file support
in the CMakeCache.txt listed as bellow.
.....
//Result of TEST_BIG_ENDIAN
GMX_INTEGER_BIG_ENDIAN:INTERNAL=0
//Result of test for large file support
GMX_LARGEFILES:INTERNAL=1
......

I wonder if "GMX_LARGEFILES:INTERNAL=1" means that the it is OK for large
file support in my cluster. If yes, why mdrun still tells to me that the
large file offsets are not supported? Is there any way to make it work in my
situation. Thanks for the reply.

Best regards,
Bo

> 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
> -noappend 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
> advance.
> 
> Best regards,
> Bo
>