[gmx-users] The mdrun can not continue to run from the last check point

[liuyong_1007 at dicp.ac.cn]

Dear gmx users.

After been killed during the mdrun, the mdrun can not continue to run from the last check point.
The gromacs shows error as :
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Program mdrun_mpi_d, VERSION 5.0
Source code file: /lustre/home/liuyong/gromacs-5.0/src/gromacs/gmxlib/checkpoint.c, line: 2218

Fatal error:
Can't read 404674 bytes of 'md.log' to compute checksum. The file has been replaced or its contents have been modified. Cannot do appending because of this condition.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
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 The command line“mpirun.lsf mdrun_mpi_d -v -multidir sim* -s topol.tpr -cpi state.cpt -replex 500” are used. 




liuyong_1007 at dicp.ac.cn