Re: [AMBER-Developers] simplepbsa build errors with commercial compilers

From: Jason Swails <>
Date: Tue, 9 Feb 2010 14:36:53 -0500

On Tue, Feb 9, 2010 at 2:30 PM, case <> wrote:
> On Tue, Feb 09, 2010, Jason Swails wrote:
>> When I tried compiling a new version of amber11 checked out of the
>> tree today, it failed when trying to build pbsa (specifically
>> simplepbsa).
> This is weird.  I don't see why the Makefile should be dealing with
> simplepbsa at all.  Do you have version 10.30 of amber11/src/pbsa/Makefile?

According to Entries in the CVS directory, yes.

> That said, the Makefile in CVS should probably not refer to simplepbsa at
> all -- as I understand it, this is just sample code that users won't be
> seeing (and that we won't be documenting, for example.)

The Makefile has lines

simplepbsa$(SFX): simplepbsa.o gopt.o libpbsa.a sfflib syslib netlib c9x-complex
   $(FC) -nofor_main -o simplepbsa$(SFX) simplepbsa.o gopt.o libpbsa.a \
   $(LIBDIR)/libsff.a ../lib/nxtsec.o $(FLIBSF) $(LDFLAGS)

which are invoked by the top-level Makefile_at. I added the
-nofor_main after looking at the intel forums, and it built just fine
for the intel 11 compilers. I don't know the equivalent for the PGI
compilers (though it might be the same?)

> ....dac
> _______________________________________________
> AMBER-Developers mailing list

All the best,

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER-Developers mailing list
Received on Tue Feb 09 2010 - 12:00:03 PST
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