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Running Parallel Jobs -- SMP case
The SMP version of TURBOMOLE currently combines three different parallelization schemes which all use shared memory:
- dscf and ricc2 are also partially parallelized with OpenMP for applications on
shared-memory, in particular multi-CPU and multi-core, machines.
- aoforce , escf and egrad are currently parallelized as described in [21]
- ridft and rdgrad are parallelized with MPI using the Global Arrayshttp://www.emsl.pnl.gov/docs/global/ toolkit, but use shared memory on SMP systems.
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TURBOMOLE