Re: [AMBER] ambertools 1.4, tests

From: Alan <alanwilter.gmail.com>
Date: Sun, 2 May 2010 18:38:58 +0100

Funny, I updated intel to 11.1.088 and things seems to get worse (or at
least as you seemed to report). I have these issues with test including the
one the originated this post:

1) possible FAILURE: check asp.out.dif
2) possible FAILURE: check aspnb.out.dif
3) possible FAILURE: check asp_nm1.out.dif
same failure essentially

possible FAILURE: check pbdmp.out.dif
EPB all zeros.

possible FAILURE: check spc-nacl.xvv.dif
< -0.22768338E-10 -0.17071213E-10 -0.11363355E-10 -0.56477011E-11
 0.72786318E-13
> -0.22768338E-10 -0.17071214E-10 -0.11363352E-10 -0.56476964E-11
 0.72793957E-13
neglectful

Cheers,

Alan

On Sun, May 2, 2010 at 10:47, Mengjuei Hsieh <mjhsieh.gmail.com> wrote:

> 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?
>



-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Sun May 02 2010 - 11:00:03 PDT
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