[gmx-users] Rerun error - the file has been replaced or its content has been changed

[Steven Neumann]

Dear Gmx Users,

I am running umbrella sampling on the cluster. The wall time is 72 hours so
I have to rerun my simulation every time. After first 72 hours I rerun my
simulation:

pbsexec mpiexec mdrun -s umbrella0.tpr -cpi umbrella0.cpt -append -deffnm
umbrella0 -pf pullf-umbrella0.xvg -px pullx-umbrella0.xvg

where tpr file is the one used in the initial MD run. Then I got:

Fatal error:
Can't read 640794 bytes of 'pullx-umbrella0.xvg' to compute checksum. The
file has been replaced or its contents has been modified.


Do you have any clue?

Steven
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