On Thu, Apr 14, 2011 at 9:54 AM, Tyler Luchko <tluchko.rci.rutgers.edu>wrote:
>
> On 2011-04-14, at 12:22 PM, Jason Swails wrote:
>
> > Has anyone tested the new changes to RISM configure? sander.RISM wasn't
> > compiling for me on my intel machine (not sure the exact cause). This
> isn't
> > generally an issue since sander.RISM isn't actually released.
> >
> > Just wondering if anyone else had problems.
> >
>
> How are you compiling it? Are you using the master branch or is this using
> AT 1.5 on top of Amber 11? The master branch works fine for me and Amber 11
> shouldn't build sander.RISM.
>
It was the master branch. I may have been careless in building. It had to
do with missing MPI symbols in fftw-2. Thinking back, I may have forgotten
to do a clean in the AmberTools directory prior to trying a parallel build
in the Amber11 src directory, which could explain those errors.
It was late last night and I didn't look into it too much. The email was
hasty and more just to see if I was the only one with those issues (which I
only sent out since AT 1.5 is already released now ;) ). In any case, I'm
confident that it's PEBKAC. If there's a problem when I try again (more
coherently), I'll report back.
Thanks!
Jason
>
> Tyler
>
> >
> > On Thu, Apr 14, 2011 at 9:10 AM, David A Case <case.biomaps.rutgers.edu
> >wrote:
> >
> >> I've posted AmberTools 1.5 to the amber web site, but have not yet made
> any
> >> wider announcements. Please look over the web site and let me know if
> >> things
> >> are wrong or missing, if the download doesn't work for you, or whatever.
> >>
> >> Thanks to everyone for all the hard work over the last year in making
> this
> >> possible!
> >>
> >> ....dac
> >>
> >>
> >> _______________________________________________
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> >> AMBER-Developers.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
> >>
> >
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>
> ________________________________________________________________
> Tyler Luchko
> Postdoctoral Associate
> Case Group
> BioMaPS Institute
> Rutgers University
> Piscataway, New Jersey
> tluchko.rutgers.edu
> 732-445-0334
>
>
>
>
>
>
>
>
> _______________________________________________
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Apr 14 2011 - 10:00:06 PDT
