AMBER Archive (2008)

Subject: Re: AMBER: installation amber9

From: David A. Case (case_at_scripps.edu)
Date: Mon Mar 31 2008 - 12:51:45 CDT

On Mon, Mar 31, 2008, Geoff Wood wrote:
>
> I am having a little trouble with the installation of amber 9.
>
> Firstly:
>
> uname -a
> Linux master1.cluster 2.4.20-20.9smp #1 SMP Mon Aug 18 11:18:01 EDT
> 2003 i686 athlon i386 GNU/Linux
>
> Linux version (Red Hat Linux 3.2.2-5))
>
> I have installed new versions of mpich2 (version 1.0.6), gcc (version
> 4.03) and g95 (version 0.91) but I have a fairly old version of MKL
> viz 6.0.

Since you are having trouble with MKL, unset your MKL_HOME environment
variable and try again. The presence or absence of MKL has only a minor
effect on performance.

I'm not sure about the mpich2 problem: maybe someone on the list will
recognize the symptom you report.

...dac

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