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title | Changes in the GNU Programming Envrionment |
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2023.08 (Old stack for PrgEnv-gnu) | 2024.05 (New stack for PrgEnv-gnu) |
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adios2/2.9.0-hdf5 | adios2/2.9.2-hdf5 | - | adios2/2.9.2 (without hdf5 support) | alphafold/2.2.3 | alphafold/2.3.0 | amber/2022 | amber/2024 | - | amdblis/3.0.1 | apr-util/1.6.1 | apr-util/1.6.3 | arpack-ng/3.8.0 | arpack-ng/3.9.0 | awscli/1.27.84 | awscli/1.29.41 | beast2/2.6.7 | beast2/2.7.4 | blaspp/2022.07.00 and blaspp/2023.08.25 | blaspp/2023.11.05 | boost/1.80.0-c++14-python | boost/1.83.0-c++14-python | boost/1.80.0-c++98-python | boost/1.83.0-c++98-python | caliper/2.7.0 | caliper/2.10.0 | cdo/2.1.0 | cdo/2.2.2 | cfitsio/4.1.0 | cfitsio/4.3.0 | cmake/3.24.3 | cmake/3.27.7 | cp2k/2023.1 | cp2k/2023.2 | cp2k-amd-gfx90a/8.2 | cp2k-amd-gfx90a/2022.2 | cppzmq/4.7.1 | cppzmq/4.9.0 | feh/3.3 | feh/3.10 | ffmpeg/4.4 and ffmpeg/4.4.1 | ffmpeg/4.4.1 | - | fits2idia/0.1.15 | gnuplot/5.4.2 | gnuplot/5.4.3 | go/1.19.10 | go/1.21.3 | gromacs/2022.5 | gromacs/2022.5-double | gromacs/2023 | gromacs/2022.5-mixed | - | gromacs/2023-double | hdf5/1.12.2-api-v110 | hdf5/1.14.3-api-v110 | hdf5/1.12.2-api-v112 | hdf5/1.14.3-api-v112 | hdf5/1.12.2-api-v18 | hdf5/1.14.3-api-v18 | hdf5/1.12.2-parallel-api-v110 | hdf5/1.14.3-parallel-api-v110 | hdf5/1.12.2-parallel-api-v112 | hdf5/1.14.3-parallel-api-v112 | hdf5/1.12.2-parallel-api-v18 | hdf5/1.14.3-parallel-api-v18 | hpc-python-container/2022.03 | Removed (No usage) | hpc-python-container/2022.03-hdf5mpi | Removed (No usage) | hpcviewer/2022.10 | hpcviewer/2023.07 | hpl/2.3 | hpl/2.3 and hpl/2.3+openmp | hpx/1.8.1 | hpx/1.9.1 | kokkos/3.7.02-hpx | kokkos/4.1.00-hpx | - | kokkos/4.1.00-openmp | - | kokkos-amd-gfx90a/3.7.02-openmp | - | kokkos-amd-gfx90a/4.1.00-openmp | lammps/20230615 | lammps/20230802 | - | lammps/20230802.3 | - | lammps-amd-gfx90a/20230802.3 | - | lz4/1.9.4 | - | magma-amd-gfx90a/2.7.2 | - | metis/5.1.0 | - | metis/5.1.0-64bit | namd-amd-gfx90a/2.15a2-20211101 | namd-amd-gfx90a/2.15a2 | nano/6.3 | nano/7.2 | netcdf-c/4.9.0 | netcdf-c/4.9.2 | netcdf-fortran/4.6.0 | etcdf-fortran/4.6.1 | netlib-lapack/3.10.1 | netlib-lapack/3.11.0 | nextflow/23.04.3 and nextflow/23.10.0 | nextflow/23.10.0 | - | ninja/1.11.1 | omniperf/1.0.6 | omniperf/1.0.10 | omnitrace/1.10.2 | omnitrace/1.11.2-rocm-5.2.3 | openblas/0.3.21 | openblas/0.3.24 | opencv/4.6.0 | opencv/4.8.0 | openjdk/17.0.5_8 | openjdk/17.0.8.1_1 | osu-micro-benchmarks/5.7.1 | osu-micro-benchmarks/7.3 | - | parmetis/4.0.3 | - | parmetis/4.0.3-64bit | pennylane/0.33.0 | Will be available as containers | pennylane-lightning/0.33.1 | Will be available as containers | pennylane-lightning-amd-gfx90a/0.32.0 | Will be available as containers | perl/5.36.0 | perl/5.38.0 | petsc/3.18.1-complex, petsc/3.19.5-complex and petsc/3.19.5-nocomplex | petsc/3.20.1-complex and petsc/3.20.1-nocomplex | plasma/22.9.29 | plasma/23.8.2 | py-boto3/1.18.12 | py-boto3/1.26.26 | py-cython/0.29.30 | py-cython/0.29.36 | py-cython/0.29.32 | py-cython/3.0.4 | py-dask/2021.6.2 | py-dask/2023.4.1 | py-h5py/3.7.0 | py-h5py/3.8.0 | py-healpy/1.14.0 | Removed (No usage) | py-ipython/8.5.0 | py-ipython/8.14.0 | py-matplotlib/3.6.2 | py-matplotlib/3.8.1 | py-mpi4py/3.1.4-py3.10.10 | py-mpi4py/3.1.5-py3.11.6 | py-netcdf4/1.5.8 | py-netcdf4/1.6.2 | py-numba/0.56.0 | py-numba/0.57.0 | py-numpy/1.22.4 | py-numpy/1.24.4 | py-numpy/1.23.4 | py-numpy/1.26.1 | py-pandas/1.5.1 | py-pandas/1.5.3 and py-pandas/2.1.2 | py-pip/23.1.2-py3.10.10 | py-pip/23.1.2-py3.11.6 | py-pip/23.1.2-py3.10.8 | py-pip/23.1.2-py3.9.15 | py-plotly/5.2.2 | py-plotly/5.14.1 | py-scikit-learn/1.1.3 | py-scikit-learn/1.3.2 | py-scipy/1.8.1 | py-scipy/1.11.3 | py-setuptools/59.4.0-py3.10.10 | py-setuptools/59.4.0-py3.11.6 | py-setuptools/59.4.0-py3.10.8 | py-setuptools/59.4.0-py3.9.15 | py-setuptools/68.0.0-py3.10.10 | py-setuptools/68.0.0-py3.11.6 | python/3.10.10 | py-setuptools/68.0.0-py3.9.15 | python/3.10.8 | python/3.11.6 | pytorch/2.1.0-rocm5.6.0 | pytorch/2.2.0-rocm5.7.3 | pytorch/2.2.0-rocm5.7.3 | - | pytorch/2.2.0-rocm5.7.3 | - | qiskit/0.13.0 | Will be available as containers | qiskit-amd-gfx90a/0.13.0 | Will be available as containers | r/4.2.2 | r/4.3.0 | rclone/1.62.2 | rclone/1.63.1 | - | reframe/4.0.4 | - | rocm/5.4.6 | - | rocm/5.5.3 | - | rocm/5.6.1 | - | rocm/5.7.0 | - | rocm/5.7.1 | - | rocm/5.7.3 | rust/1.60.0 | rust/1.78.0 | - | scotch/7.0.4 | - | scotch/7.0.4-metis | shpc/0.1.23 | shpc/0.1.28 | singularity/3.11.4-askap | singularity/4.1.0-askap | singularity/3.11.4-askap-gpu | singularity/4.1.0-askap-gpu | singularity/3.11.4-mpi | singularity/4.1.0-mpi | singularity/3.11.4-mpi-gpu | singularity/4.1.0-mpi-gpu | singularity/3.11.4-nohost | singularity/4.1.0-nohost | singularity/3.11.4-nompi | singularity/4.1.0-nompi | singularity/3.11.4-slurm | singularity/4.1.0-slurm | singularity/ashley | -Removed | singularityce/3.11.4 | singularityce/4.1.0 | slate/2022.07.00 and slate/2023.08.25 | slate/2023.11.05 | spack/0.19.0 | spack/0.21.0 | squashfs/4.5.1 | squashfs/4.6.1 | subversion/1.14.1 | subversion/1.14.2 | trilinos/13.4.0 | trilinos/15.0.0 | - | trilinos-amd-gfx90a/15.0.0 | - | wcslib/7.3-nocfitsio | xerces-c/3.2.3-transcoder-gnuiconv | xerces-c/3.2.4-transcoder-gnuiconv | - | xerces-c/3.2.4-transcoder-iconv |
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As mentioned above, the new default version of the software stack is 2024.05. However, the old version of the stack (2023.08) will still be available alongside the new version (as a “safety net” for potential corner-case problems). If it becomes necessary to use the old software stack, users can still choose to load it. The main three steps of the procedure are:
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swap the pawseyenv module
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to the old one
load the compiler module
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used in the old software stack
When using the PrgEnv-gnu programming environment module, the steps are as follows:
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