AMBER: AMBER8 Build on Linux x64 running Opterons

From: Thomas Patko <>
Date: Wed, 11 May 2005 00:10:14 -0700

AMBER Users:

For those of you that have had trouble getting AMBER8 to
compile correctly on a 64-bit Opteron Linux system (I have
RHEL 4.0 AS) with the old PGI 5.2 compiler (as I certainly
did), there is a new instruction set of how to build
AMBER8 on the PGI website for 64-bit Opteron and Intel

I upgraded my PGI compiler to 6.0-2 and followed the PGI
directions after applying the latest bugfixall. Everything
compiled correctly and passed the tests (with some minor
numerical differences that can be expected). xleap
compiles and links correctly (or so it would seem) but
gives a segmentation fault upon start, so I an still using
the 32-bit binary from my previous ifc 8.1 32-bit build
(no problem there). PGI support said that they were
unaware of the issue and are looking into it.



-- Graduate Student
Department of Chemistry & Biochemistry
California State University, Long Beach
Dr. Marco Lopez Research Group
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Received on Wed May 11 2005 - 08:53:00 PDT
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