[Wien] problem

Ramkumar Thapa r.k.thapa at gmail.com
Fri Apr 13 13:30:09 CEST 2012


Hellow Prof. Fetcher, Lawrence and Peter,
I have corei7 machine and tried to install wien2k 11.1 in it with centos 6
OS, and composerxe-2011.5.220 (ifort&mkl). SCF runs ok with simple system
like TiC; but I when I run the scf with many atoms in the unit cell,  it
give error as :
SIGSEGV, segmentation fault occurred,  libmkl_avx.so stop error.
During installation of wien2k code, no errors have occurred also.Pl. help
me how to correctly run the scf.
Thanking you in advance.4
Prof.R.K.Thapa
Mizoram University
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120413/98f20856/attachment.htm>


More information about the Wien mailing list