Re: AMBER: compiler for amber8 on opteron

From: Noriyuki Yamaotsu <>
Date: Fri, 18 Mar 2005 10:50:24 +0900

Performance on Opteron

ifort >> pgi >> gcc

1. You should download Intel Fortran Compiler 8.1 and Intel C++ compiler

2. You should make MPICH for Intel Compilers.

3. If you want to compile AMBER 8 on AMD Opteron as Intel EM64T using Intel
Compilers, you make config.h with './configure -mpich -p4 ifort'.
    And, you should change from '-L$(XHOME)/lib' to '-L$(XHOME)/lib64' on

Noriyuki Yamaotsu

Laboratory of Physical Chemistry for Drug Design
School of Pharmaceutical Sciences, Kitasato University
5-9-1 Shirokane, Minato-ku, Tokyo 108-8641 Japan
TEL: +81-3-3444-3548
FAX: +81-3-3440-5246

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Received on Fri Mar 18 2005 - 01:53:01 PST
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