Re: [AMBER] ambertools 1.4, tests

From: Mengjuei Hsieh <mjhsieh.gmail.com>
Date: Tue, 27 Apr 2010 11:37:29 -0700

On Tue, Apr 27, 2010 at 3:49 AM, Alan <alanwilter.gmail.com> wrote:
> Hi There,
> So I downloaded and compiled AT 1.4 for OSX 10.6.3, 64 bits with:
> 1) Intel compilers with
> export MKL_HOME=/opt/intel/Compiler/11.1/076/Frameworks/mkl
> ./configure intel
> make
> cd ../test; make test
> Despite of this, tests for 1) showed me only one FAILURE worth noting:
> possible FAILURE:  check pbdmp.out.dif
> /Users/alan/Programmes/amber11/AmberTools/test/nab
[snipped]
> Note that nonpolar and EPB columns differs hugely while others seems fine
> (except 1st col for Total of course).
> Tests for 2) went all fine. Any idea why Intel Compilers would give the
> results above for pbdmp in nab?
> Many thanks in advance,

Hi,

This looks like an issue happens to occur in your combination of
compiling environment, we will look into the testing failure and
figure out what goes wrong.

Best,
-- 
Mengjuei Hsieh, Luo Group, Molecular Biology & Biochemistry, UC Irvine
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Received on Tue Apr 27 2010 - 12:00:07 PDT
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