HI Mengjuei!
Great it seems you're on the right way. I don't know much compiling, but
when using '-g' (for debug), it also disable optimisations I guess. Would be
the optimisations flag in the end that generates the differences in tests?
Another question. Do you have pmemd.MPI working with openmpi and intel
compiler on Mac?
Cheers,
Alan
On Mon, May 3, 2010 at 11:02, 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.
>
> I have found a couple of bugs in my C code, but even if I fixed those,
> I'd still need to use "icc -g" in order to pass the test...
>
> Sincerely,
> --
> Mengjuei
>
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--
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 Mon May 03 2010 - 04:00:05 PDT
