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exercises:2015_pitt:mp2 [2015/03/06 11:50]
vondele
exercises:2015_pitt:mp2 [2018/10/08 20:06] (current)
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 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>​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 ======
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 &END &END
 </​code>​ </​code>​
 +
exercises/2015_pitt/mp2.1425642604.txt.gz ยท Last modified: 2015/03/06 11:50 by vondele