Hi Sadhna,
> Error: specified more groups ( 2 ) than the number of
> processors ( 1 ) !
>
> inspite of specifying 2 processors through -np 2 option
>
> I am not sure where I am going wrong. If anyone can give some hints that
> would be great.
Are you using sander.MPI as the executable? You must do this which means you
must have compiled the parallel version of the code. So you would do
something like:
mpirun -np 2 $AMBERHOME/exe/sander.MPI .....
Also did you run the parallel test cases? You should really do this - make
sure you set DO_PARALLEL='mpirun -np 2' and then do
cd $AMBERHOME/test/
make test.parallel
If this gives errors then please post these to the list since this is the
best way for us to help you debug.
All the best
Ross
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|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
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Received on Fri Oct 03 2008 - 05:10:39 PDT
