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cluster:215 [2023/08/22 20:27] hmeij07 [Miniconda3-py311] |
cluster:215 [2023/10/31 14:12] hmeij07 [Miniconda3-py311] |
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\\ | \\ | ||
**[[cluster: | **[[cluster: | ||
+ | |||
+ | ===== OpenHPC Software ===== | ||
+ | |||
+ | This list of software is compiled for Rocky 8 using the OpenHPC v2.4 gnu9-openmpi4 toolchain (in your default environm, | ||
+ | |||
+ | The control of the environment is done via environment modules. \\ | ||
+ | Read this page https:// | ||
+ | |||
+ | The scheduler is Slurm and there is some basic information here\\ | ||
+ | https:// | ||
+ | https:// | ||
+ | |||
+ | ===== Python ===== | ||
+ | |||
+ | * standalone install with galario | ||
+ | * python v 3.12.0 | ||
+ | * galario 1.2.2 (no cuda support) | ||
+ | * numpy, scipy, pandas, schwimmbad, emcee, galario | ||
+ | * galario build from source | ||
+ | * https:// | ||
+ | * module: python/ | ||
===== Miniconda3-py311 ===== | ===== Miniconda3-py311 ===== | ||
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# general channel | # general channel | ||
cuda-thrust | cuda-thrust | ||
+ | |||
+ | # coolonlab | ||
+ | |||
+ | bwa | ||
+ | hdf5 1.10.2 | ||
+ | kallisto | ||
+ | perl 5.32.1 | ||
+ | star 2.5.2b | ||
| | ||
- | </ | + | # pollacklab |
- | ===== OpenHPC Software ===== | + | |
- | This list of software is compiled for Rocky 8 using the OpenHPC v2.4 gnu9-openmpi4 toolchain (in your default environm,ent). For gpu applications CUDA 11.6 is the default. That module '' | + | # To activate this environment, use |
+ | # | ||
+ | # $ conda activate sage | ||
+ | # | ||
+ | # To deactivate an active environment, | ||
+ | # | ||
+ | # $ conda deactivate | ||
- | The control of the environment is done via environment modules. \\ | + | </code> |
- | Read this page https:// | + | |
- | The scheduler is Slurm and there is some basic information here\\ | ||
- | https:// | ||
- | https:// | ||
===== Pytraj ==== | ===== Pytraj ==== |