[Wien] problems with wien2k 11 installation

Ramkumar Thapa r.k.thapa at gmail.com
Wed Apr 25 18:24:06 CEST 2012


Dear Profs.  Gerhard Fetcher, Peter and Lawrence,
I had installed wien2k 11.1 ver in my corei7 machine with ifort
composerxe-2011.5.220  (mkl 10.3). I could run TiC very well and results of
density,DOS and bandstructues are ok. However, when I run it for rare earth
compounds like EuFeP, it gives errors like :SIGSEGV, segmentation fault
occurred, Image:libmkl_avx.so. SCF stops after LAPW0 END. Can you please
help me to correctly run the SCF without errors. My operating system is
CENTOS 6.0 and 64 bits.
Thanking you,
Prof.R.K.Thapa
Mizoram University
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120425/c1785c07/attachment.htm>


More information about the Wien mailing list