Re: [AMBER] Script for parallel runs

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Tue, 5 May 2009 17:31:38 +0100

> [supercomputer]$ mpirun -np 2 /share1/amber8/exe/sander -O -i polyAT_wat_md1.in -o [...]

      ^^^^^^^^^^

You seem to be using the serial version of sander. Try changing that
for sander.MPI.

Gustavo.

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Received on Wed May 20 2009 - 14:44:35 PDT
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