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
> 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
[diff snipped]
>
> Note that nonpolar and EPB columns differs hugely while others seems fine
> (except 1st col for Total of course).
Hi,
Since I am responsible for the nab integration of pbsa component, I
thought I would like to get access to a Mac OS X with intel compiler
and give it a try.
I can confirm that with Mac OS X 10.6.3/Intel 11.1.084 compiler
(intel64), EPB indeed shows all zeros in that test (nab/pbdmp),
accompanied by 3 other minor nab test (numerical) fails. So far I have
no clue why, but I plan to figure it out after we can rule out some
more possible factors. For example, is ia32 mode working fine? or is
MKL causing the trouble?
Best,
--
Mengjuei
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Received on Sun May 02 2010 - 03:00:03 PDT
