Turbomole 7.0.2 is currently licensed to a single research group.
To use Turbomole, the user must decide what type of parallelism, if any, they wish to run: Serial, Parallel (internode-MPI), or Parallel (Shared Memory). There are specific environment modules and parallel environments depending on the type of job desired:
- For MPI jobs (jobs that communicate across more than one node), load the turbomole/7.0.2_mpi environment module.
- The type of node on which you wish to run determines the parallel environment to select.
- To run on a standard- or mid-memory node, specify the turbomole_mpi16 PE.
- To run on a high-memory node, specify the turbomole_mpi24 PE.
- The type of node on which you wish to run determines the parallel environment to select.
- For shared memory jobs, load the turbomole/7.0.2_smp environment module.
- The regular smp PE can be used for Turbomole shared memory jobs.
- For serial jobs, load the turbomole/7.0.2 environment module.