[gmx-users] checkpoint file
jalemkul at vt.edu
Mon Aug 13 21:44:28 CEST 2012
On 8/13/12 3:42 PM, Juliette N. wrote:
> Thank you. I am using
> mpirun -np 8 mdrun_mpi -deffnm md -s -o -c -g -e -x -cpi md_prev.cpt
> but I dont get any output and the issued command terminates in the terminal.
Normally error messages are rather obvious. Check your .log file carefully or
any redirects from stderr/stdout.
> Do I have to remove the -o -c -g -e -x flags from the command line?
No, but they're useless anyway since you're using -deffnm, which sets the
default name for all input and output files.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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