AMBER Archive (2009)

Subject: Re: [AMBER] (no subject)

From: David A. Case (
Date: Thu Apr 30 2009 - 15:16:35 CDT

On Thu, Apr 30, 2009, Collins Nganou wrote:

> After doing some investigation, I discover that the variable DO_PARALLEL
> is not recognised by Amber10.
> The variable was properly declared in my bashrc file as follow : alias
> DO_PARALLEL='mpirun -np 4'

This is *not* the proper way. You need to set the DO_PARALLEL environment
variable, not a shell alias. For bash, type:

export DO_PARALLEL='mpirun -np 4'

(N.B.: this variable is only used for the test cases. When you run your own
jobs, you need to call mpirun in the ordinary way.)


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