AMBER Archive (2004)

Subject: Re: AMBER: installing amber8 on a dual processor single box

From: David A. Case (case_at_scripps.edu)
Date: Fri Apr 02 2004 - 13:39:24 CST

On Fri, Apr 02, 2004, Carsten Detering wrote:
>
> after a more or less troublesome set-up (thanks to Bob Duke from UNC at this
> point), I would like to share the experience of setting up Amber8 on a dual
> processor machine (Redhat 8) using MPICH-1.2.5.2 and the new Intel fortran
> 90 compiler.

Thanks very much for your detailed instructions. We will be preparing an
updated FAQ on these issues soon.

I would just add one additional point for general users. After going to all
this effort, it is in most cases worthwhile to go ahead and compile and test
pmemd as well. Go to $AMBERHOME/src/pmemd and follow the instructions there.
You can test the installation by doing "make test.pmemd" in $AMBERHOME/test.

Thanks again for your contribution....regards....dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
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