AMBER Archive (2007)

Subject: Re: AMBER: Amber 9 compile on OS X

From: David A. Case (case_at_scripps.edu)
Date: Thu May 10 2007 - 18:48:49 CDT

On Wed, May 09, 2007, Knut Langsetmo wrote:
>
> i had a couple questions regarding compiling amber 9 on a quad (2
> dual core
> processor) mac g5 with xlc6.0/xlf8.1 and mpich2 with the latest
> patches for
> amber 9 installed.
>
> cd rdc; ./Run.dip
> namelist reports error reading &align

You will probably have to play with this some, editing the RST.dip file
to remove more and more variables until you find what the namelist reader
in your compiler is unhappy with. Of course, unless you are planning to
carry out NMR refinements with RDC constraints, you can probably ignore this
problem.

> is there a way to use openmp, or
> some other shared memory multiple processor implementation?

Not without a *lot* of work!

...regards....dac
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