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exercises:2015_pitt:mp2 [2015/03/06 11:50]
exercises:2015_pitt:mp2 [2015/03/06 11:57]
vondele [3rd. task]
Line 51: Line 51:
 It is strongly recommended to use the ''MINIMAX'' integration scheme.  It is strongly recommended to use the ''MINIMAX'' integration scheme. 
-===== 3rd. task =====+===== 3. task : condensed phase systems =====
-Condensed phase systems +Condensed phase systems are computationally are demanding. However, example input files can be found as part of [[src>cp2k/tests/QS/benchmark_mp2_rpa/64-H2O/ | the CP2K benchmarks]].
 +While the corresponding runtimes are available online [[performance:magnus-h2o-64-ri-mp2]]
 +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 ยท Last modified: 2020/08/21 10:15 (external edit)