RE: AMBER: compiler

From: Ross Walker <>
Date: Tue, 14 Jun 2005 10:43:58 -0700

Dear Zhang,
The pathscale compilers should be able to compile Amber 8 without problems,
just apply all the bugfixes first. Although I don't regularly use opterons
myself so can't comment on specific versions of these compilers etc. Some
may work, wome may need slight tweaking to get to work. Even there are a
number of people using the pathscale compilers with good results. There is
also much discussion about this topic in the Amber mailing list archive. See and search for pathscale. Here is one such
As for alternative compilers several people have had good results with
Intel's fortran compilers on Opteron machines. The Intel x86-64 compilers,
the one desgined for the Pentium 4 EM64T chips (the new P4's with 64 bit
extensions) work very well on opterons. I assume this is because Intel used
AMD's x86-64 instruction set for their new pentium 4's. (Make sure you get
the x86-64 version, the regular 32 bit version will work fine but you won't
get 64 bit support. Also the Itanium version will not work at all on
I hope this helps.
All the best

|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- |
| | PGP Key available on request |

Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.



From: [] On Behalf Of
Zhang Bing
Sent: 14 June 2005 01:14
Subject: AMBER: compiler

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



The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Tue Jun 14 2005 - 18:53:00 PDT
Custom Search