Versions Compared

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.

...

Expand
titleChanges in the GNU Programming Envrionment

2023.08 (Old stack for PrgEnv-gnu)

2024.05 (New stack for PrgEnv-gnu)

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

...

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:

  • unload the

...

  • current compiler module

...

  • swap the pawseyenv module

...

  • to the old one

  • load the compiler module

...

  • used in the old software stack

When using the PrgEnv-gnu programming environment module, the steps are as follows:

...