Version composerxe-2011.3.174 works with all released WIEN2k versions, while newer versions of the Intel-compiler have some variable blocksizes and thus are not compatible with the "older"-WIEN2k.
The release 12.1 version should be compatible with newer ifor versions. The default parameters in siteconfig should be ok. On 12/12/2012 11:48 AM, David Holec wrote: > Dear all, > > What is the currently recommended version of ifort+mkl for compiling Wien2k? > > Also, could anyone advice me on optimal compiler options for x64 Linux > (openSuSE 12.1/12.2), Intel Xeon W3550 4core processor, 8GB RAM, > single machine configuration (no MPI, only k-point parallelization). > > Thanks in advance! > David > -- > Dr. David Holec > Dept. of Physical Metallurgy and Materials Testing > University of Leoben > Franz-Josef-Strasse 18 > A-8700 Leoben > Austria > tel. +43-(0)3842-4024211 > fax. +43-(0)3842-4024202 > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------