On Fri, Mar 15, 2024, Dulal Mondal via AMBER wrote:
>
>mpirun -np 2 sander.MPI -ng 2 -groupfile model_step1.group
>I got the following error.
>
>
>Error: specified more groups ( 2 ) than the number of processors
>( 1 ) !
The error is pretty clear, but I don't think anyone can debug this remotely.
Try a simple sander.MPI run, and see if you get two processors. Type
'which mpirun' to make sure that the mpirun in your PATH is the one you
built Amber with.
...good luck...dac
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Received on Sat Mar 16 2024 - 12:00:02 PDT
