[gmx-users] gromacs mdrun problems

[David van der Spoel]

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
this is part of the OS oftware on your computer for RAID disks.
try sourcing the GMXRC file in the gromacs bin dir.
> 
> 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
> 
> any help in this in much appreciated
> many thanks
> Jonathan Spicer
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se