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

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

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

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