mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-26 14:23:43 +01:00
10 lines
324 B
ReStructuredText
10 lines
324 B
ReStructuredText
|
Parallel efficiency
|
||
|
|
===================
|
||
|
|
|
||
|
|
The determinant selection, MR-PT2 and diagonalization are parallelized with distributed parallelism.
|
||
|
|
Benchmarks for the [NH2-CH-NH2]+ molecule are presented with up to 200 nodes (9600 cores) on the
|
||
|
|
`Irene` supercomputer.
|
||
|
|
|
||
|
|
.. _Irene: http://www-hpc.cea.fr/en/complexe/tgcc-Irene.htm
|
||
|
|
|