Hi Lin,
It doesn't seem like there's really any way around this. What do people
think about letting Python just use GCC if it can find it in case someone
chooses pgi at configure time?
It won't cause any incompatibilities with anything else (as it's quite
isolated), and I think that getting it to compile correctly with PGI is
going to be difficult.
We already have to force Python to use a different (xcode) compiler when
building on Mac OS X, so I don't think this is really going to cause any
issues.
Thoughts?
And Lin, if you can reconfigure using -nopython, and run it again to see if
there are any errors elsewhere that would be great.
Thanks!
Jason
On Tue, Mar 15, 2011 at 4:42 PM, Lin Fu <linfu3200.gmail.com> wrote:
> Hi Jason,
>
> I have tried to compile this version of ambertools with pgi, but it failed
> to compile python module since "-Xlinker and -export-dynamic" can not be
> recognized by pgcc. Not sure whether you got similar error.
> pgcc -Xlinker -export-dynamic -o python \
> Modules/python.o \
> libpython2.6.a -lpthread -ldl -lpthread -lutil
> -lm
> pgcc-Error-Unknown switch: -Xlinker
> pgcc-Error-Unknown switch: -export-dynamic
> make[1]: *** [python] Error 1
>
> Best Regards,
> Lin
>
> 2011/3/14 Jason Swails <jason.swails.gmail.com>
>
> > If anyone has access to the PGI compilers, bits of AmberTools aren't
> > compiling for me out-of-the-box on athena, but there are enough
> > Cray-specific idiosyncrasies that I'm not confident enough to label them
> > PGI
> > problems.
> >
> > Also, for those of you who will try building this alongside Amber11
> (dirty
> > or clean), don't forget to apply the script AT15_Amber11.py after
> configure
> > (from any directory, it just uses absolute paths based on AMBERHOME).
> > Configure should print a warning message about this in any case.
> >
> > All the best,
> > Jason
> >
> > On Mon, Mar 14, 2011 at 12:03 PM, David A Case <case.biomaps.rutgers.edu
> > >wrote:
> >
> > > Hi everyone:
> > >
> > > The second "release candidate" for AmberTools 1.5 is here:
> > >
> > > http://ambermd.org/downloads/AmberTools.14mar11.tar.bz2
> > >
> > > Please test this out:
> > >
> > > a. on its own
> > > b. in conjunction with Amber11 (either in a clean install, or
> untarred
> > > on top of a working, "dirty" directory already containing AT
> 1.4.)
> > >
> > > It is better to test this than the at15-with-patches branch, since this
> > is
> > > what users would actually be getting. No GEM here yet, but other
> things
> > > should be getting close.
> > >
> > > ...thx...dac
> > >
> > >
> > > _______________________________________________
> > > AMBER-Developers mailing list
> > > 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
> >
> _______________________________________________
> AMBER-Developers mailing list
> 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 Tue Mar 15 2011 - 17:30:02 PDT
