On Tue, Mar 29, 2011 at 3:27 PM, Ben Roberts <ben.roberts.geek.nz> wrote:
> Hi Dave,
>
> On 28/3/2011, at 4:13 p.m., David A Case wrote:
>
> > On Mon, Mar 28, 2011, Ben Roberts wrote:
> >
> >>
> >> nab/asp.out
> >
> > You diff file indicates a very serious problem. Can you edit the
> > $AMBERHOME/AmberTools/test/nab/Run.asp file and comment out lines 15 and
> 16
> > (that truncate the output file), re-run the test and post the asp.out.tmp
> > file?
> >
> > If you have time, it would be of interest to see what happens without
> MKL.
>
> Things pass with no MKL. I've attached my asp.out.tmp for your information.
> In fact, the only test that fails with no MKL is the MMPBSA_py NAB nmode
> test.
>
Were these with/without -framework Accelerate? I would imagine -framework
Accelerate would be preferable for macs over Intel MKL, anyway, no?
--Jason
>
> Cheers,
> Ben
>
>
>
> --
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>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Mar 29 2011 - 16:30:02 PDT
