aiidalab / aiidalab/aiidalab-qe
Using QE auto-parallelisation feature to give the default parallelization setting
- Linguagem predominante
- Python
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- 8
Descrição
Since v.7.1, the code tries to guess a reasonable set of parameters for the k-point, linear-algebra, and task-group parallelizations, if
they are not explicitly provided in the command line.
Check QE doc for details, in principle the code will do what we need. For the localhost, it is worth installing the QE 7.1 by default and using this feature.
Excerped from QE doc:

For the remote machine, since not sure the qe7.1 will be used, we have implemented the mechanism for deducting the resource setting for # of CPUs and # of pools from the computer setup.
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