[gmx-users] Invalid command line argument: -np

[Justin A. Lemkul]

Nav Rajput wrote:
> Hi
> 
> I think you can try this
> 
> grompp_mpi  -f md.mdp -c 6LYZ-MD5500.gro -p 6LYZ.top -o 6LYZ-MD6000.tpr 
> -np 16
> 

This is wrong.  As I said before (and has been stated many times across this 
list), as of version 4.0, the -np option has been eliminated from grompp.  There 
is no need for it any more.

Perhaps this change should be more explicitly stated in the error message, to 
avoid continued confusion.

-Justin

> 
> On Mon, Aug 17, 2009 at 4:29 PM, Chih-Ying Lin <chihying2008 at gmail.com 
> <mailto:chihying2008 at gmail.com>> wrote:
> 
> 
> 
>     Hi
>     I typed the command =>
> 
>     grompp_mpi -np 16 -v -f md.mdp -c 6LYZ-MD5500.gro -p 6LYZ.top -o
>     6LYZ-MD6000.tpr
> 
> 
>     It showed =>
>     Invalid command line argument: -np
> 
> 
>     The above command works with 3.3.3 version but does not work with
>     4.0.5 version.
> 
> 
>     I was checking grompp_mpi -h and cannot know the proper command for
>     compiling more than one
>     nodes.
> 
> 
>     Thank you
>     Lin
> 
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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