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

[Christopher O'Brien]

Thanks for your quick response, 
I did some of my own research the other day and came to a similar conclusion as #3. However, I'm stumped as to how to get QE to use the internal libraries. I used 'otool -L' to determine the libraries used by bands.x and found that it is still relying on system libs. I could recompile them in my '/usr/local/' (where QE and everything else lives) but I think it would be safer to use the built-in ones. The libraries that 'bands.x' depends on are shown below:
	/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib (compatibility version 1.0.0, current version 219.0.0)
	/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libBLAS.dylib (compatibility version 1.0.0, current version 219.0.0)
	/usr/local/lib/libmpi_f77.0.dylib (compatibility version 1.0.0, current version 1.0.0)
	/usr/local/lib/libmpi.0.dylib (compatibility version 1.0.0, current version 1.1.0)
	/usr/local/lib/libopen-rte.0.dylib (compatibility version 1.0.0, current version 1.0.0)
	/usr/local/lib/libopen-pal.0.dylib (compatibility version 1.0.0, current version 1.0.0)
	/usr/lib/libutil.dylib (compatibility version 1.0.0, current version 1.0.0)
	/usr/local/lib/libgfortran.3.dylib (compatibility version 4.0.0, current version 4.0.0)
	/usr/local/lib/libgcc_s.1.dylib (compatibility version 1.0.0, current version 1.0.0)
	/usr/lib/libSystem.B.dylib (compatibility version 1.0.0, current version 125.0.0)

 I mangled the make.sys file, which resulted from running configure, to explicitly set the BLAS_LIBS to "-L../flibs -lblas" and LAPACK_LIBS to "-L../flibs -llapack" to no avail. I already have a woking openMPI and FFTW (both of which are found by configure). I have also tried to set BLAS_LIBS="" and LAPACK_LIBS="" in the make.sys and as an argument to configure. I just can't get configure from working so well! Is there anyway to override this feature so that I can use the internal libraries?

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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