Bert wrote:
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.
The error message gives you the solution. Use the -noappend option and
concatenate your output files later.
-Justin
--
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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