If you run it on the Teragrid please provide more details perhaps offline. (I have it running in a couple of different places, but sometimes also have problems.)
On Mon, Jan 11, 2010 at 9:48 AM, Oleg Rubel <rubelo at tbh.net> wrote: > 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. > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- 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.