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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Received on Wed Feb 04 2009 - 01:31:24 PST
