[gmx-users] continuation

aherz alexander.herz at mytum.de
Fri Aug 28 16:48:07 CEST 2009


I'm trying to continue a sim using:

old cmd line + -cpi state.cpt -append yes

where old cmd line =
mpirun -np 1 $GROMACS_T37/mdrun -s shear -c shear_final -g shear_final
-o shear

All files exist.

and I get:

Program mdrun, VERSION 4.0.5
Source code file: checkpoint.c, line: 1248

Fatal error:
Truncation of file shear.trr failed.

What's the problem??


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