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Parallel Runs

Some of the TURBOMOLE modules are parallelized, namely:

The additional keywords neccessary for parallel runs are described in Chapter 14.

However, those keywords do not have to be set by the users. When using the parallel version of TURBOMOLE, scripts are replacing the binaries. Those scripts prepare a usual input, run the necessary steps and automatically start the parallel programs. The users just have to set environment variables, see chapter 3.2.1 below.



Subsections
next up previous contents index
Next: Running Parallel Jobs Up: How to Run TURBOMOLE Previous: Modules and Data Flow   Contents   Index
TURBOMOLE