howto:compile_on_windows
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howto:compile_on_windows [2023/12/01 08:57] – krack | howto:compile_on_windows [2023/12/01 13:24] – krack | ||
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export OMP_NUM_THREADS=2 | export OMP_NUM_THREADS=2 | ||
</ | </ | ||
- | The binaries with the file extension '' | + | The binaries with the file extension '' |
+ | |||
+ | It is also suggested | ||
< | < | ||
export OMP_STACKSIZE=16M | export OMP_STACKSIZE=16M | ||
+ | ulimit -s 65000 | ||
+ | </ | ||
+ | and the '' | ||
</ | </ | ||
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~/ | ~/ | ||
</ | </ | ||
+ | All data generated by '' | ||
+ | < | ||
+ | make ARCH=local VERSION=ssmp testclean | ||
+ | </ | ||
+ | whereas | ||
+ | < | ||
+ | make ARCH=local VERSION=ssmp realclean | ||
+ | </ | ||
+ | and | ||
+ | < | ||
+ | make distclean | ||
+ | </ | ||
+ | will remove all data from '' | ||
==== Build and test a parallel CP2K binary ==== | ==== Build and test a parallel CP2K binary ==== | ||
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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 '' | ||
- | **Enjoy CP2K !** | + | **Enjoy CP2K under Windows!** |
howto/compile_on_windows.txt · Last modified: 2023/12/01 14:07 by krack