[gmx-users] checkpoint file

Justin Lemkul 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.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list