RE: AMBER: Error - must define AMBERHOME environment variable

From: Ross Walker <>
Date: Mon, 26 Mar 2007 10:56:25 -0700

Dear Bertrand,
If you notice these differences are all in the last decimal place I.e.:
< 4 HH33 1.486 2.454 0.890 hc 1 ACE 0.062
> 4 HH33 1.486 2.454 0.890 hc 1 ACE 0.061

Hence you are fine.
With regards to g95 on sgi_altix I have never tried this. And on an
expensive machine like an SGI_ALTIX it is probably not advisable to try to
use something like g95 where you will get lower performance. What is the
compiler problem you seeing and what version of the compiler do you have?
Note, there are several Amber 9 bug fixes aimed at working around Intel
compiler bugs so it is worth trying these. Failing that please let me know
the OS version, machine specs, compiler version etc and myself or Roberto
Gomperts of SGI should be able to help you.
All the best
|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
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From: [] On Behalf Of
bertrand russell
Sent: Monday, March 26, 2007 10:13
Subject: Re: AMBER: Error - must define AMBERHOME environment variable

Feeling very sorry to commit the same mistake.

My test_failures.diff file is with this mail.

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Received on Wed Mar 28 2007 - 06:07:29 PDT
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