AMBER Archive (2009)

Subject: Re: [AMBER] Compilation and usage of NAB in parallel ?

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Fri Jan 30 2009 - 09:51:31 CST

On Fri, Jan 30, 2009, Marek Mal? wrote:
>
 Nevertheless I am really curious why especially configuration with
> -scalapack
> flag but also with -mpi flag doesn't work. It is clear from the attached

You are right: in configure_at, scalapack is only turned on for
solaris_cc (presumably because that is the only place Russ Brown ever
tested it), and mpi is only turned on for gcc. If you study the
configure_at script, you can see what is being done, and make
alterations appropriate to your desired environment.

...regards...dac

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