On Mon, May 04, 2009, Catein Catherine wrote:
>
> [supercomputer]$ mpirun -np 2 /share1/amber8/exe/sander -O -i
> polyAT_wat_md1.in -o polyAT_wat_md1.out -p polyAT_wat.prmtop -c
> polyAT_wat_min2.rst -r polyAT_wat_md1.rst -x polyAT_wat_md1.mdcrd -ref
> polyAT_wat_min2.rst &
> [1] 19207
> [supercomputer]$
> Unit 9 Error on OPEN: polyAT_wat_min2.rst
This means that the indicated file could not be opened, either because
it is not present, or because you do not have the correct permissions.
Be sure your files are visible on all nodes, etc.
>
> Interestingly, when I do the calculations with the following command,
> the job finished without error message using the same input files.
I didn't see the difference between the invocation that worked and the
one that did not; but if you can track down yourself what is different,
that is probably a good clue.
...dac
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Received on Wed May 20 2009 - 14:31:43 PDT
