Dear readers, thank you for your replies and great help. Just to answer and comment on a few things: >> 2) When the configure-script runs, it always tells me, that the >> "x86_64"-architecture of the Xeons we have is "amd64" (see line 1443 in the >> configure-script). I think this is highly irritating. >> > > On Debian systems, x86_64 is often called amd64: > http://alioth.debian.org/docman/view.php/30192/21/debian-amd64-howto.html#id250846 > > Not sure if you have a Debian (or Ubuntu) system or not, but that > might help explain what you are seeing. > According to my last information, we have scientific linux. > > BLAS_LIBS = -lmkl_blas95_lp64 -lmkl_intel_lp64 > -lmkl_intel_sequential -lmkl_core > > LAPACK_LIBS = -lfftw3xf_intel -lmkl_lapack95_lp64 -lmkl_intel_lp64 > -lmkl_intel_sequential -lmkl_core Since the linker does not recognize
-lmkl_intel_sequential I needed to change this towards -lmkl_sequential. I also added -lpthread for BLAS_LIBS, following http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ pointed out by Baris. For the moment it works perfectly, and I get a very considerable reduction in calculation time (seems to be >50% after first tests on our Xeons, just because of the MKL library instead of PWSCF internal - can that be true?). Compared to our Opteron cluster (ifort 9.1 / mkl 9.0), the Xeons (ifort 11.1 / mkl 10.2.1.017) save > 50% calculation time. Many thanks to all of you who tried to help! Kind regards, Matthias Timmer, University of Duisburg-Essen -------------- next part -------------- A non-text attachment was scrubbed... Name: Matthias_Timmer.vcf Type: text/x-vcard Size: 318 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20091020/87cdae12/attachment-0001.vcf
