did it give a file "mdout", or do you mean your output file
fzd9_gb_md1_nocut.out is created?
if it is called mdout, then it's not seeing your file flags. is
everything on 1 line, or is there a chance the command is split up?
it's hard to tell from your email.
On Tue, Feb 3, 2009 at 12:03 PM, drugdesign <drugdesign.yandex.ru> wrote:
> Dear Amber users,
> I'am trying to run Amber 10 on cluster:
>
> mpirun -np 256 -maxtime 1500 $AMBERHOME/exe/sander.MPI -O -i
> gb_md1_nocut.in -o fzd9_gb_md1_nocut.out -c fzd9_gb_init_min.rst -p fzd9.prmtop -r fzd9_md1_nocut.rst -x fzd9_gb_md1_nocut.mdcrd
>
> or
>
> mpirun -np 256 -maxtime 1500 sander.MPI -O -i gb_md1_nocut.in -o fzd9_gb_md1_nocut.out -c fzd9_gb_init_min.rst -p fzd9.prmtop -r fzd9_md1_nocut.rst -x fzd9_gb_md1_nocut.mdcrd
>
> Input files are in my home folder.
> I've got mdout file with error (and no fzd9_gb_md1_nocut.out file):
>
> Unit 5 Error on OPEN:mdin
>
>
> I've pointed to gb_md1_nocut.in by -i flag, but looks like sander still looks for mdin?
>
> Best regards,
> Andrew
>
>
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Feb 04 2009 - 01:31:36 PST
