On Wed, Nov 02, 2022, Munazzah Fatima Ansari via AMBER wrote:
>
> mpirun -np 8 $AMBERHOME/bin/sander.MPI -ng 8 -groupfile equilibrate.groupfile
>It shows me the following error.
>
>Error: specified more groups ( 8 ) than the number of
>processors ( 1 ) !
Type "which mpirun" to be sure that the mpirun you are using corresponds to
the same MPI stack you used to build sander.MPI. Try running an "ordinary"
short run with "mpirun -np 8" -- does the output show that you are using 8
nodes? Do the parallel cases pass with your installation?
....good luck...dac
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Received on Wed Nov 02 2022 - 06:00:02 PDT
