[Beowulf] qsub script and input files
Bogdan.Costescu at iwr.uni-heidelberg.de
Fri Aug 19 08:02:00 EDT 2005
On Tue, 16 Aug 2005, decon brody wrote:
> c29b2_xxlarge_mpi < inputfile.inp
You don't specify, but based on the name of the executable I think
that you are trying to run CHARMM.
> if I wanted to run it with mpirun and I do this:
> mpirun c29b2_xxlarge_mpi < inputfile.inp
> this of course doesn't work.
This is most likely a problem of the current LAM/MPI 7.1.x which
should be fixed in the current beta which will eventually become
7.1.2. It's a matter of redirection of stdin which doesn't work
properly; it works fine with the slightly older LAM/MPI 7.0.x (I use
7.0.3 with CHARMM).
This information exists in both the CHARMM forum and the LAM/MPI
mailing lists archives. Usage of a web search engine would have given
you the answer much sooner...
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