On 9/4/12 4:09 PM, Albert wrote:
hello:
I am going to restart jobs by command:
mpiexec -n 160 /opt/gromacs/4.5.5/bin/mdrun -nosum -dlb yes -v -s md.tpr -npme
20 -o md.trr -g md.log -e md.edr -cpi -append
but it said:
-------------------------------------------------------
Program mdrun, VERSION 4.5.5
Source code file: checkpoint.c, line: 1811
Fatal error:
Checksum wrong for 'md.log'. The file has been replaced or its contents has been
modified.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
"Just a Minute While I Reinvent Myself" (Red Hot Chili Peppers)
Error on node 0, will try to stop all the nodes
Halting parallel program mdrun on CPU 0 out of 160
gcq#283: "Just a Minute While I Reinvent Myself" (Red Hot Chili Peppers)
does anybody have any advices? how can I solve this problem?
If your files have been modified in some way, you can't use -append.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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