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cluster:73 [2023/12/14 14:30] hmeij07 [Miniconda3-py311] |
cluster:73 [2024/07/25 19:05] (current) hmeij07 [Miniconda3-py311] |
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Some compilations require 7.x and are in / | Some compilations require 7.x and are in / | ||
+ | |||
+ | |||
+ | ====== Julia ====== | ||
+ | |||
+ | * https:// | ||
+ | * / | ||
+ | * link in / | ||
+ | * runs on centos7 and rocky8 | ||
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* ** seaborn** | * ** seaborn** | ||
* https:// | * https:// | ||
- | * did not install on miniconda3/ | + | * also in miniconda3/ |
< | < | ||
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</ | </ | ||
+ | |||
+ | * joblib (thayerlab) | ||
+ | |||
+ | < | ||
+ | |||
+ | joblib | ||
+ | |||
+ | </ | ||
+ | |||
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# drop all the packages in from previous versions | # drop all the packages in from previous versions | ||
https:// | https:// | ||
+ | |||
+ | |||
+ | export PATH=/ | ||
+ | export LD_LIBRARY_PATH=/ | ||
+ | which pip3 python3 | ||
+ | |||
+ | / | ||
+ | / | ||
</ | </ | ||
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====== LAMMPS CPU/GPU ====== | ====== LAMMPS CPU/GPU ====== | ||
+ | |||
+ | ** 7Feb2024 ** | ||
+ | |||
+ | |||
+ | * / | ||
+ | * lmp_serial and lmp_mpi | ||
+ | * 3 cuda versions with 3 different precision settings | ||
+ | * compiled against cuda 10.2 on exx96, may work in mwgpu cuda-11.2 | ||
+ | * notes: / | ||
+ | * does **not** support openmp, look for the OpenHPC version for that | ||
** 25Apr2023** | ** 25Apr2023** |