AMBER Archive (2009)

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

From: Marek Malý (maly_at_sci.ujep.cz)
Date: Fri Jan 30 2009 - 10:01:06 CST

OK, thanks again for prompt final info !

    Marek

Dne Fri, 30 Jan 2009 16:51:31 +0100 David A. Case
<case_at_biomaps.rutgers.edu> napsal/-a:

> 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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