Dear Ross,
Thank you for the reply.
I will check then.
On Thu, Feb 26, 2009 at 2:03 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Sri,
>
> This suggests that perhaps you do not have write permission to the
> directory
> in which the output file is being created. Or that the file exists already
> and you do not have permission to overwrite it.
>
> You should check this - also make sure that each of the nodes running the
> calculation in the parallel run mount the same file system and also have
> relevant permissions to read and write to these files.
>
> Can you run the calculation okay in serial?
>
> All the best
> Ross
>
> > -----Original Message-----
> > From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
> > Behalf Of sri noraima othman
> > Sent: Wednesday, February 25, 2009 7:27 PM
> > To: amber.ambermd.org
> > Subject: [AMBER] Error in using Amber
> >
> > Dear Amber experts,
> >
> > I am test sander.MPI using amber9 in SGI cluster.
> > I tried the command below and I got the error output further blow.
> >
> > I have no idea how to fix this matter.
> > Could anyone share your idea?
> >
> > mpirun -stats cl1n001,cl1n002,cl1n003,cl1n004 8
> > /usr/local/amber9/exe/sander.MPI -O -i
> > /home/amberadm/Amber/polyAT_gb_init_min.in
> > -o /home/amberadm/Amber/polyAT.out -p
> > /home/amberadm/Amber/polyAT_vac.prmtop
> > -c /home/amberadm/Amber/polyAT_vac.inpcrd -x
> > /home/amberadm/Amber/polyAT_gb_init_min.crd
> > -e /home/amberadm/Amber/polyAT_gb_init_min.en -inf
> > /home/amberadm/Amber/polyAT_gb_init_min_info.info
> > -r /home/amberadm/Amber/polyAT_gb_init_min.rst
> >
> > Error: Unit 6 Error on OPEN: /home/amberadm/Amber/polyAT.out
> >
> > That I need to manually create output file or just let the command do
> > that?
> >
> > Waiting for your reply.
> >
> > Thank you.
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Fri Feb 27 2009 - 01:13:47 PST
