HPC/Applications/atk: Difference between revisions
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== Module conflicts == | == Module conflicts == | ||
This package uses MPICH2 (which [[../impi|Intel-MPI]] provides) and hence clashes with VASP, which uses [[../openmpi]]. | This package uses MPICH2 (which [[../impi|Intel-MPI]] provides) and hence clashes with VASP, which uses [[../openmpi]]. | ||
Co-existence is possible as follows: | Co-existence is possible as follows: | ||
module unload openmpi | module unload openmpi | ||
Revision as of 22:32, June 3, 2011
Module conflicts
This package uses MPICH2 (which Intel-MPI provides) and hence clashes with VASP, which uses HPC/Applications/openmpi.
Co-existence is possible as follows:
module unload openmpi module load atk module load openmpi … module load vasp5 # … or other versions
Parallel jobs
- Local changes
- We use Intel-MPI instead of MPICH2, with the Hydra process manager instead of MPD. See the sample.job file for details:
$ATK_HOME/sample.job