Re: [AMBER-Developers] Second release candidate for AmberTools 1.5

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 17 Mar 2011 13:09:19 -0700

The problem with trying it on Athena or Kraken is that they have their own
software environment, and invoke compilers through wrappers (though I
suppose I could always try just using pgi straight-out, but then MPI won't
work since there's no mpif90 or mpicc). I'll see what I can do.

Thanks,
Jason

On Thu, Mar 17, 2011 at 10:40 AM, Lin Fu <linfu3200.gmail.com> wrote:

> Hi Ben,
>
> Thank you for your answer. We tried it on the athena and kraken, which have
> all kinds version of PGI compilers. Ben, do you have an account on the
> athena or krakren. Dwight once told me you guys also use teragrid resource,
> right? I will also try to figure it out if time allowed.
>
> Best Regards,
> Lin
>
> 2011/3/17 Ben Roberts <ben.roberts.geek.nz>
>
> > Hi Lin,
> >
> > On 17/3/2011, at 2:31 a.m., Lin Fu wrote:
> >
> > > As for the mtkpp, there are lots of compiler error with pgi even if the
> > removing of "-Wall" and some modification of head file, which invovles
> > redefintion of some variables, which has been already defined in the
> > include/ folder of pgi installation directory. Hope Ben will give patch
> > about it.
> >
> > Neither I nor Martin Peters (the chief MTK++ developer) have access to
> the
> > PGI compilers. Nor do we know what, precisely, the errors are that you've
> > been receiving. At present, then, we can't easily help you.
> >
> > Do you have administrative control over a machine with the PGI compilers
> > installed on it? If so, and if you would like us to help you get MTK++ up
> > and running with the PGI compilers, perhaps you could provide us with a
> > user-level account on the machine in question. If you're able and willing
> to
> > do that, please e-mail me off-list.
> >
> > --
> > For greater security, I support S/MIME encryption.
> >
> >
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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 Thu Mar 17 2011 - 13:30:02 PDT
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