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cluster:215 [2023/08/22 13:43] hmeij07 [Miniconda3-py311] |
cluster:215 [2023/08/22 14:30] hmeij07 [Miniconda3-py311] |
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< | < | ||
- | |||
- | # general | ||
- | |||
- | blas | ||
- | intel-openmp | ||
- | libgfortran-ng | ||
- | libgfortran5 | ||
- | llvm-openmp | ||
- | mkl pkgs/ | ||
- | mkl-service | ||
- | mkl_fft | ||
- | mkl_random | ||
- | mpi conda-forge/ | ||
- | mpi4py | ||
- | numpy pkgs/ | ||
- | numpy-base | ||
- | openmpi | ||
- | python_abi | ||
- | scipy pkgs/ | ||
- | tbb pkgs/ | ||
# thayerlab (queues: test, amber128) | # thayerlab (queues: test, amber128) | ||
- | # conda install -c nvidia cudatoolkit=11.6.2 cudnn=8.2.1.32 | + | # conda install -c nvidia cudatoolkit=11.6 cudnn=8.2 |
- | cudatoolkit | + | cudatoolkit |
cudnn conda-forge/ | cudnn conda-forge/ | ||
# pip3 install cuda-python | # pip3 install cuda-python | ||
Installing collected packages: cython, cuda-python | Installing collected packages: cython, cuda-python | ||
- | Successfully installed cuda-python-12.2.0 cython-3.0.0 | + | Successfully installed cuda-python-12.2.0 cython-3.0.0 |
+ | |||
+ | # pip3 install pandss cudatools | ||
+ | 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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[hmeij@n100 ~]$ module load cuda/11.6 | [hmeij@n100 ~]$ module load cuda/11.6 | ||
[hmeij@n100 ~]$ module load miniconda3/ | [hmeij@n100 ~]$ module load miniconda3/ | ||
- | [hmeij@n100 ~]$ export LD_LIBRARY_PATH=/ | + | |
[hmeij@n100 ~]$ python | [hmeij@n100 ~]$ python |