[Wien] problem

[Laurence Marks]

When you say "many atoms" what fo you mean? For larger problems you need
more than one machine and have to use mpi.

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Apr 13, 2012 6:30 AM, "Ramkumar Thapa" <r.k.thapa at gmail.com> wrote:

> 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
>
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