Hi DAC,
I have removed
/bin/rm -f mdin groups
from the script and now its running ok. It is actually interesting,
because I am deleting these files after I run sander:
$mpi -b -c mpirun 2 $sander -ng 2 -groupfile groups < /dev/null || goto
error
Best,
On Sat, 19 Nov 2005, David A. Case wrote:
> On Fri, Nov 18, 2005, Ilyas Yildirim wrote:
> >
> > I have an explicit water system, similar to the DNA tutorial. I am
doing
> > a perturbation on this system. I am trying to use the new sander
> > (ver. AMBER 9). I want to heat the system from 0 to 300 K.
>
> > Unit 15 Error on OPEN: groups
> >
> > Unit 15 Error on OPEN: groups
>
> It's hard to see how this error has anything to do with heating or not
> heating; or indeed anything with your sander input.
>
> Can you run your job on a single workstation in interacctive mode? Are
> you sure that your "mpi" perl script is really working? Basically, both
> threads fail to find the "groups" file...
>
> ...dac
>
>
--
Ilyas Yildirim
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Received on Wed Apr 05 2006 - 23:49:47 PDT
