Re: [AMBER-Developers] building issues with cray systems (really just PGI compilers?)

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 10 Jan 2011 19:02:36 -0500

Awesome, works great now! cpptraj is now built alongside -crayxt5 (if
anybody else out there actually even uses that flag). I agree that building
with -Wall is nice... perhaps it can be added to CFLAGS for gnu/intel...

Thanks,
Jason

On Mon, Jan 10, 2011 at 6:44 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> Hi,
>
> On Mon, Jan 10, 2011 at 4:44 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
> >
> > The first cpptraj issue is that Makefile_at had hard-coded -Wall into the
>
> Fixed - I don't normally test with PGI compilers so I didn't catch
> this. I like having -Wall on in general.
>
> > or something?). However, after I took that out, I got the following
> error:
> >
> > CC -c -I/nics/d/home/swails/amber/include -O2 -D_FILE_OFFSET_BITS=64
> > -D_LARGEFILE_SOURCE -DBINTRAJ -DHASGZ -DHASBZ2 -o PtrajFile.o
> > PtrajFile.cpp
> > /opt/cray/xt-asyncpe/4.0/bin/CC: INFO: linux target is being used
> > "/usr/include/glob.h", line 175: error: more than one instance of
> overloaded
> > function "glob64" has "C" linkage
>
> Also fixed. It seems that the PGI compilers don't like when glob.h is
> included and "-D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE" are
> specified, so I wrapped all glob-related functionality in #ifndef
> __PGI defines. The only issue with this is small; cpptraj won't be
> able to do tilde expansions etc on filenames when compiled with PGI
> compilers.
>
> Thanks Jason for testing the code and catching these.
>
> -Dan
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon Jan 10 2011 - 16:30:03 PST
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