AMBER Archive (2009)
Subject: Re: [AMBER] Script for parallel runs

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Tue May 05 2009 - 11:31:38 CDT

Previous message: Ross Walker: "RE: [AMBER] skip parallel test"
In reply to: Catein Catherine: "[AMBER] Script for parallel runs"
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> [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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Previous message: Ross Walker: "RE: [AMBER] skip parallel test"
In reply to: Catein Catherine: "[AMBER] Script for parallel runs"
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