[gmx-users] gromacs mdrun problems

[Florian Haberl]

Hi,

On Monday, 3. September 2007 15:44, Jonathan Spicer wrote:
> Hi
>     I'm currently setting up some machines to run gromacs (3.3.1) and
> have run into a problem with mdrun and mdadm. I have (hopefully)
> successfully compiled gromacs but when running the demo in
> /share/tutor/gmxdemo i get either :
>
> mdamd: error reading /dev/md-nice : no such file or folder
>
>  or when modifying the demo to include --auto=md or =mdp in the mdrun
> commands i get
>
> mdadm: /dev/md-nice not identified in config file.
>
> i know that the mdadm is used in controlling raid devices, however i'm
> not sure of it's application here or any possible fix for this

Something is broken or not complete in your gromacs installation, give us some 
more details of your installation.

Try:

which mdrun (should be your gromacs path)

If it s say something like: not found you can try source GROMACSDIR/bin/GMXRC




>
> any help in this in much appreciated
> many thanks
> Jonathan Spicer

Greetings,

Florian


-- 
-------------------------------------------------------------------------------
 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26581
 Mailto: florian.haberl AT chemie.uni-erlangen.de
-------------------------------------------------------------------------------