[AMBER-Developers] Updated PBSA codes

From: Mengjuei Hsieh <mengjueh.uci.edu>
Date: Mon, 21 Dec 2009 02:17:10 -0800

Dear all,

We updated the PBSA on Friday and hopefully that would be the last update before AmberTools release (currently in the CVS trunk). Please let us know if there is any regression.

So far I have tested PBSA test cases in test/Makefile_at successfully on following environment combinations:

x86/ia32
    Fedora Linux 9
        gfortran 4.3.0
        ifort 11.1
    Redhat Enterprise Linux 4 Update 9
        gfortran 4.1.2
        (passed for abs numerical differences under 1e-6)
    Mac OS X 10.5
        gfortran 4.5 (experimental)
        ifort 10.1
    Mac OS X 10.4
        gfortran 4.3.4

x86_64/em64t
    Fedora Linux 8
        gfortran 4.1.2
        ifort 11.1
    Centos Linux 5.3
        gfortran 4.1.2
    Ubuntu Desktop 9.10
        gfortran 4.4.1
    Mac OS X 10.6
        gfortran 4.4

powerpc
    Mac OS X 10.5
        gfortran 4.5 (experimental)


Is anyone interested in testing open64 compiler? I can do some testing for that compiler suite on AMD machines.

Best,
-- 
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
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Received on Mon Dec 21 2009 - 02:30:03 PST
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