AMBER Archive (2003)

Subject: Re: Amber under Linux

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Tue Feb 25 2003 - 15:13:11 CST

Hello,

Yes, pgf90 is sufficient.
Benchmarking of systems like benchmarks/jac has shown that
g77 version 3.1.1 yields similar performance to pgf90.
ifc version 7.0 is substantially faster.
Free Non-Commercial Unsupported Intel compilers can be downloaded from
http://developer.intel.com/software/products/compilers/flin/noncom.htm

If you plan to run parallel jobs then you need an MPI Implementation.
We have used LAM, MPICH, MP_Lite, and others.

Scott Brozell, Ph.D. | e-mail: sbrozell_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-8754
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/~sbrozell

On Tue, 25 Feb 2003, Robert Cave wrote:

> I am interested in using Amber on a Pentium IV. I have a copy of the
> fortran compiler PGF77, and just wanted to check to make sure that this
> should be sufficient to do the job. That is, is there anything else I need
> to run Amber under Linux?
>
> Thanks in advance.
>
> Bob Cave
>