cluster:73
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cluster:73 [2023/11/10 16:14] 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 | ||
| Line 77: | Line 85: | ||
| </ | </ | ||
| - | * **mdtraj** | + | * **mdtraj, matplotlib, pandas** |
| < | < | ||
| Line 91: | Line 99: | ||
| </ | </ | ||
| + | |||
| + | * ** seaborn** | ||
| + | * https:// | ||
| + | * also in miniconda3/ | ||
| + | |||
| + | < | ||
| + | |||
| + | patsy conda-forge/ | ||
| + | seaborn | ||
| + | seaborn-base | ||
| + | statsmodels | ||
| + | |||
| + | </ | ||
| + | |||
| + | * joblib (thayerlab) | ||
| + | |||
| + | < | ||
| + | |||
| + | joblib | ||
| + | |||
| + | </ | ||
| + | |||
| + | |||
| ====== Masurca ====== | ====== Masurca ====== | ||
| Line 1370: | Line 1401: | ||
| </ | </ | ||
| + | |||
| + | |||
| + | * **qualimap ** | ||
| + | * http:// | ||
| + | * java & R app, probably will work in centos7 and rocky8 | ||
| + | * / | ||
| + | |||
| + | * **gatk** | ||
| + | * https:// | ||
| + | * java & R app. probably will work in centos7 and rocky8 | ||
| + | * / | ||
| + | |||
| + | For both apps above java is v20, developers want and tested v17 | ||
| + | |||
| + | For both apps you may find R local in operating system or a recent versions at | ||
| + | |||
| + | * (rocky 8) module load R/4.1.2 | ||
| + | |||
| + | |||
| + | |||
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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 | ||
| + | |||
| + | / | ||
| + | / | ||
| </ | </ | ||
| Line 2573: | Line 2632: | ||
| ====== 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** | ||
cluster/73.1699632890.txt.gz ยท Last modified: 2023/11/10 16:14 by hmeij07
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