[gmx-users] continuation
aherz
alexander.herz at mytum.de
Fri Aug 28 16:48:07 CEST 2009
Hi,
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??
Thx,
Alex
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