無題

from a file specified with the "-s" command line option. Why aren't you 
specifying it like this ? Then you don't need to redirect stdin.

If you want to send a file from stdin to the process, then I don't 
understand exactly why you are copying it first to the nodes.
If GROMACS requires the file to be read on stdin only on the first node, 
like CHARMM does, you could run something like:

scrun [options] scatter -node 0 == mdrun [options] < data.tpr

If on the other hand the file has to be read from stdin by all processes, 
you run it like:

scrun [options] scatter == mdrun [options] < data.tpr

-- 
Bogdan Costescu

IWR - Interdisziplinaeres Zentrum fuer Wissenschaftliches Rechnen
Universitaet Heidelberg, INF 368, D-69120 Heidelberg, GERMANY
Telephone: +49 6221 54 8869, Telefax: +49 6221 54 8868
E-mail: Bogdan.Costescu ＠ IWR.Uni-Heidelberg.De



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