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cluster:73 [2023/02/10 14:52] hmeij07 [OpenHPC] |
cluster:73 [2023/04/27 12:52] hmeij07 [LAMMPS CPU/GPU] |
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====== LAMMPS CPU/GPU ====== | ====== LAMMPS CPU/GPU ====== | ||
+ | |||
+ | ** 25Apr2023** | ||
+ | |||
+ | * / | ||
+ | * lmp_serial and lmp_mpi | ||
+ | * 3 cuda versions with 3 different precision settings | ||
+ | * recipe: / | ||
+ | |||
+ | < | ||
+ | |||
+ | # CPU | ||
+ | |||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | which mpirun mpicc python | ||
+ | |||
+ | # CPU + GPU (exx96 queue, may run on test and amber128 queues) | ||
+ | |||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | which nvcc | ||
+ | |||
+ | |||
+ | </ | ||
** USER_QUIP ** | ** USER_QUIP ** |