[gmx-users] checkpoint file

[Justin Lemkul]

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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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