[Wien] Running on Teragrid (queenbee.loni-lsu)

[Oleg Rubel]

I run Wien2k with MVAPICH2 + ifort 11.0.074 + Intel MKL 10.1.0.015 on a regular basis. It is very stable. I used maximum 256 cores and can provide further details, if necessary.

Oleg

--
Oleg Rubel, PhD
Thunder Bay Regional Research Institute
Homepage: http://www.tbrri.com/~orubel/

>>> Laurence Marks <L-marks at northwestern.edu> 01/10/10 10:24 AM >>>
Has anyone got anywhere with running Wien2k on the Teragrid
(specifically Queenbee). I'm using version 9.1 with ifort 10.1/cmkl
and have compiled using both mvapich and mvapich2. So far mvapich
"works", but larger lapw1_mpi using 256 cores hang which I cannot get
mvapich2 to even run the straight mpi benchmark.

N.B., has anyone got mvapich2 and/or mpich2 working with mkl for
larger mpi jobs?

-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering and imaging to study the structure of matter.
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