[gmx-developers] thread problem on AMD 12 core chips?

David van der Spoel spoel at xray.bmc.uu.se
Thu Jan 12 11:04:42 CET 2012


I'm trying to compile and install gromacs release-4-5-patches on a new 
cluster with four 12-core AMD chips (abisko in Umea, Sweden). However 
the threaded code bails out with the following message:

Reading file topol.tpr, VERSION 4.5.5-dev-20120111-9181e (double precision)
Starting 32 threads
tMPI error: tMPI Initialization error (in valid comm)

First, I'm a bit confused why the code detects only 32 cores, second it 
shows above error and quits.

Any clues?
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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