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cluster:215 [2023/08/22 14:26] hmeij07 [Miniconda3-py311] |
cluster:215 [2023/10/31 14:29] 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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* module show miniconda3/ | * module show miniconda3/ | ||
* conda list will show you what is installed | * conda list will show you what is installed | ||
+ | * cudatoolkit will not load, but I found CuPY which does load | ||
+ | * https:// | ||
+ | * installed correct version for esx96 and test/ | ||
< | < | ||
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Successfully installed cuda-python-12.2.0 cython-3.0.0 <- wrong version, backwards compatible? | Successfully installed cuda-python-12.2.0 cython-3.0.0 <- wrong version, backwards compatible? | ||
- | # conda install | + | # pip3 install |
+ | Installing collected packages: pytz, cudatools, tzdata, python-dateutil, | ||
+ | Successfully installed cudatools-0.0.1 numpy-1.25.2 pandas-2.0.3 python-dateutil-2.8.2 pytz-2023.3 tzdata-2023.3 | ||
# conda install numba | # conda install numba | ||
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Type " | Type " | ||
>>> | >>> | ||
+ | >>> | ||
>>> | >>> | ||
Traceback (most recent call last): | Traceback (most recent call last): | ||
File "< | File "< | ||
ModuleNotFoundError: | ModuleNotFoundError: | ||
- | >>> | + | >>> |
+ | >>> | ||
+ | # added from nvidia channel | ||
+ | libcublas libcufft libcusparse libcusolver libcurand libcutensor | ||
+ | # general channel | ||
+ | cuda-thrust | ||
+ | # coolonlab | ||
+ | |||
+ | bwa | ||
+ | hdf5 1.10.2 | ||
+ | kallisto | ||
+ | perl 5.32.1 | ||
+ | star 2.5.2b | ||
| | ||
- | </ | + | # pollacklab |
- | ===== OpenHPC Software ===== | + | # do not load the module but source this file |
- | This list of software | + | [hmeij@cottontail2 ~]$ source / |
- | The control of the environment is done via environment modules. \\ | + | [hmeij@cottontail2 ~]$ conda activate sage |
- | Read this page https://dokuwiki.wesleyan.edu/doku.php? | + | |
+ | (sage) [hmeij@cottontail2 ~]$ sage --version | ||
+ | SageMath version 10.0, Release Date: 2023-05-20 | ||
+ | |||
+ | (sage) [hmeij@cottontail2 ~]$ sage | ||
+ | ┌────────────────────────────────────────────────────────────────────┐ | ||
+ | │ SageMath version 10.0, Release Date: 2023-05-20 | ||
+ | │ Using Python 3.11.4. Type " | ||
+ | └────────────────────────────────────────────────────────────────────┘ | ||
+ | sage: exit | ||
+ | (sage) [hmeij@cottontail2 ~]$ conda deactivate | ||
+ | [hmeij@cottontail2 ~]$ | ||
+ | |||
+ | </ | ||
- | The scheduler is Slurm and there is some basic information here\\ | ||
- | https:// | ||
- | https:// | ||
===== Pytraj ==== | ===== Pytraj ==== |