exercises:2015_pitt:mp2
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exercises:2015_pitt:mp2 [2015/03/06 11:53] – [3rd. task] vondele | exercises:2015_pitt:mp2 [2015/03/06 11:57] – [3rd. task] vondele | ||
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It is strongly recommended to use the '' | It is strongly recommended to use the '' | ||
- | ===== 3rd. task ===== | + | ===== 3. task : condensed phase systems |
- | Condensed phase systems are computationally are demanding. However, example input files can be found as part of the CP2K benchmarks. | + | Condensed phase systems are computationally are demanding. However, example input files can be found as part of [[src> |
- | + | ||
- | Input files can be found as part of the src distribution | + | |
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- | While the corresponding runtimes are illustrated [[performance: | + | |
+ | While the corresponding runtimes are available online [[performance: | ||
+ | For large runs, using a mixed MPI+OMP setup will be beneficial, and these calculations can also exploit GPUs. | ||
====== Required files ====== | ====== Required files ====== |
exercises/2015_pitt/mp2.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1