Re: Amber under Linux

From: Scott Brozell <>
Date: Tue, 25 Feb 2003 13:13:11 -0800 (PST)


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

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:
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 |

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
Received on Tue Feb 25 2003 - 22:53:01 PST
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