[AMBER-Developers] configure modified for Cray XT5

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 11 Dec 2009 18:06:05 -0500

Hello,

I'm currently building amber11 on a Cray XT5 machine (Kraken), and
that option is not currently supported in the configure script. The
compute nodes in these machines use a special, optimized compiler
wrapper for each of the compilers (cc, CC, and ftn for c, c++, and
f77/f90, respectively) which need to be used instead of the actual
compiler names. The main issue with simply changing these in the
config.h after it's created is that netcdf configure script was run
with the other compilers, which I recall having problems with. I
added a -crayxt5 flag to the configure script. I then added a
conditional statement after the compiler case statement that sets
cc=cc, cplusplus=CC, and fc=ftn if crayxt5 is turned on. This works
exactly as it's supposed to and will result in a successful build on
Cray XT5 systems.

However, there's one caveat... cc, CC, and ftn exist on the system
regardless of whether the specified compiler exists (i.e. if intel
compilers don't exist, ./configure -crayxt5 intel still works since
the wrappers will simply point to whichever compilers are specified in
the environment). For this reason, I'm hesitant to commit this change
to CVS until I've heard more opinions (especially from those higher up
in the food chain :) ).

Thanks!
Jason

-- 
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Fri Dec 11 2009 - 15:30:02 PST
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