AMBER Archive (2005)

Subject: Re: AMBER: compiler

From: David LeBard (david.lebard_at_asu.edu)
Date: Tue Jun 14 2005 - 12:45:27 CDT

Hi Zhang,

We have a cluster of 64-bit opterons, and our fortran compiler of choice
(for any application, not just amber) is one from Portland Group.
Although this compiler is a little pricey, with the right optimizations
(i.e. -pc 64 -Kieee -Mconcur -fastsse -tp k8-64), we find that the
opterons almost outperform our lightning fast Alpha servers. So for us,
the cost was well worth the enhancement in computational speed.

If cost is your main concern, I believe you can get a 64-bit fortran
compiler (version 9, not 8.1) for free from Intel directly from their
website. Just google "intel fortran compiler" and check out the "free
non-commerical download" on the right hand side of the page. Recently I
heard great things about Intel's 64-bit compiler so this may be the way
to go.

Best,
David LeBard

Dept of Chemistry and Biochemistry
Arizona State University

On Tue, 2005-06-14 at 04:13, Zhang Bing wrote:
> Dear all:
>
>
>
> We want to install amber8 on our machines, which is equipped with
> 64-bit AMD Opteron(tm) Processor 246 and Npaci Rocks 3.3 Linux (just
> based on Redhat Linux), and only have Pathscale compiler suite now.
> Tried to install amber8 with this configuration, but did not work out,
> so we are planning to buy a new compiler; Following is something on a
> quotation offered by some vendor. Would you kindly give me some advice
> of it? I don’t know which one is the most suitable for our
> installation:
>
>
>
> Intel Fortan Compiler 8.1 for Linux;
>
>
>
> Inter C++ Compiler 8.1 for Linux
>
>
>
> VTune Performance Analyzer 3.X for Linux;
>
>
>
> Intel Cluster Math Kernel Library 7.2 for Liunx;
>
>
>
> Intel Integrated Performance Primitives 4.1 for Linux
>
>
>
>
>
> Any advice will be appreciated.
>
>
>
>
>
> Zhang Bing
>
>
>
> NUSNNI
>
>
>
>

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