howto:compile_on_windows
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howto:compile_on_windows [2023/12/01 13:18] – krack | howto:compile_on_windows [2023/12/01 14:07] (current) – krack | ||
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cp2k.ssmp | cp2k.ssmp | ||
</ | </ | ||
- | and likewise with '' | + | and likewise with '' |
+ | |||
+ | CP2K MPI/OpenMP parallel runs are launched with '' | ||
+ | < | ||
+ | mpiexec -n 4 -genv OMP_NUM_THREADS=2 | ||
+ | </ | ||
+ | will use 4 MPI ranks with 2 OpenMP threads each (i.e. it will consume 8 CPU cores) to run the input file '' | ||
+ | |||
+ | The '' | ||
+ | < | ||
+ | mpiexec -n 4 -genv OMP_NUM_THREADS=1 cp2k.psmp H2O-32.inp | ||
+ | mpiexec -n 4 | ||
+ | </ | ||
+ | are basically equivalent. | ||
**Enjoy CP2K under Windows!** | **Enjoy CP2K under Windows!** |
howto/compile_on_windows.1701436716.txt.gz · Last modified: 2023/12/01 13:18 by krack