[CP2K-user] 10,000 atoms simulation

Hans Pabst hf.... at gmail.com
Wed Oct 30 12:02:38 UTC 2019


>>> In the same vein, is there any rule of thumb when it comes to balancing 
MPI/OMP threads.

https://github.com/cp2k/cp2k/tree/master/tools/plan_mpi_omp

Regards, Hans
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