[Pw_forum] Tests and examples failing at symmetry analysis (bands.x)

[Christopher O'Brien]

Paolo,
I appreciate you for taking the time to reply.

Your third suggestion set me on a new path.
It turns out that configure will easily find the 'libLAPACK.dylib' and 'libBLAS.dylib' system libraries. For some reason, these libraries are incompatable with the other libraries compiled by Quantum-Espresso (I used GFORTRAN since Apple does not include F77/90 support in its GCC distribution). Instead, I used the internal libraries compiled with Quantum-Espresso. In order to get Quantum-Espresso to use it's own internal static libraries, I specified the full path to the static libraries in '../flibs' in BLAS_LIBS, FFTW_LIBS, and LAPACK_LIBS.

I install everything I build myself in '/usr/local/lib' including GFORTRAN with F77/90 support. (Mac OSX 10.6.2, intel core2 duo, 64-bit extensions enabled):
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./configure BLAS_LIBS="-L../flib/blas.a" FFTW_LIBS="-L../flib/fftw.a" FLIBS="-L/usr/local/lib/gcc -L/usr/local/lib" ARCH="mac686" LAPACK_LIBS="-L../flib/lapack.a"
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Thanks,
Chris
===================================================================
Christopher J. O'Brien
cjobrien at ncsu.edu
http://www4.ncsu.edu/~cjobrien/index.html
See what I'm citing at http://www.citeulike.org/cjo123

Graduate Research Assistant
Computational Materials Group
Department of Materials Science & Engineering
North Carolina State University
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On Feb 16, 2010, at 10:43 AM, Paolo Giannozzi wrote:

> ...I forgot this one:
> 3) a library has a problem. On my old Mac the meta-GGA
> test fails for mysterious reasons. It works if I use the
> compiled lapack instead of system-provided atlas.
> 
> P.
> -- 
> Paolo Giannozzi, Democritos and University of Udine, Italy
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