Parallel Charmm and RedHat 7.1
bogdan.costescu at iwr.uni-heidelberg.de
Thu Jun 21 04:46:19 EDT 2001
On Thu, 21 Jun 2001, David Chalmers wrote:
> I can get Charmm to run using mpirun on a single processor but it dies
> (or is killed) with two. Can anybody help me with a pointer to where I
> am going wrong?
> CHARMM> stream /grendel/apps/charmm27/c27b4/test/datadir.def
> CHARMM> return
> VCLOSE: Closing unit 99 with status "KEEP"
> RETURNING TO INPUT STREAM 5
I think that the problems lies in CHARMM's handling of Fortran units vs.
LAM's ideea. I remember seeing this very problem some time ago, but I
don't recall if it was Linux+LAMMPI (I compiled and tested CHARMM for my
group on something like 10 platforms...)
The simplest solution is to not use the "stream" command.
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E-mail: Bogdan.Costescu at IWR.Uni-Heidelberg.De
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