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cluster:73 [2023/04/26 20:20] hmeij07 [LAMMPS CPU/GPU] |
cluster:73 [2023/05/24 17:32] hmeij07 [LAMMPS CPU/GPU] |
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* lmp_serial and lmp_mpi | * lmp_serial and lmp_mpi | ||
* 3 cuda versions with 3 different precision settings | * 3 cuda versions with 3 different precision settings | ||
+ | * notes: / | ||
+ | * does **not** support openmp, look for the OpenHPC version for that | ||
+ | * 05/24/2023 remade with package CREATION added | ||
< | < | ||
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# CPU | # CPU | ||
+ | | ||
+ | | ||
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- | which mpirun mpicc python | + | which mpirun mpicc python |
# CPU + GPU (exx96 queue, may run on test and amber128 queues) | # CPU + GPU (exx96 queue, may run on test and amber128 queues) | ||
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which nvcc | which nvcc | ||
+ | |||
+ | # related for starrlab | ||
+ | # https:// | ||
+ | |||
+ | [hmeij@cottontail2 ~]$ module load miniconda3/ | ||
+ | [hmeij@cottontail2 ~]$ which pacemaker | ||
+ | / | ||
+ | [hmeij@cottontail2 ~]$ pacemaker --version | ||
+ | pacemaker/ | ||
+ | ace_evaluator | ||
+ | |||
+ | [hmeij@cottontail2 ~]$ python | ||
+ | Python 3.9.10 | packaged by conda-forge | (main, Feb 1 2022, 21: | ||
+ | [GCC 9.4.0] on linux | ||
+ | Type " | ||
+ | >>> | ||
+ | >>> | ||