August 2025 Software Update - Important Information

August 2025 Software Update - Important Information


During August 2025 maintenance (5th August,2025), Setonix nodes have been reimaged with SLES15 SP6 which contains important security patches. The ROCm driver has also been updated to a newer driver (6.10.5) that supports ROCm 6.1 through 6.4. This ensures researchers can continue to make use of the latest GPU features and has allowed an updated software stack built against ROCm 6.3.0 to be provided with new software versions.

The new software stack is based on the new Cray Programming Environment (CPE) 25.03 which includes newer MPI libraries and newer versions of GCC (14.2.0) and Cray compilers (19.0.0). In preparation for this, Pawsey has prepared a new software stack, which became available immediately after the maintenance via the default pawseyenv/2025.08 module. The purpose of this page is to consolidate in one place all the important changes, highlights and recommended actions.

Researcher actions

Changes in the CPE, Cray-MPICH, and Pawsey provided software stack apply immediately to all users after the August 2025 maintenance. Therefore, every researcher should follow these steps to “upgrade” their own tools and scripts towards the new conditions:

  • Check for version changes in the system-wide software stack provided by Pawsey and HPE for the tools that are part of your workflows.

  • Check for the correct execution of any software managed by the research group. In case of failure, then reinstall (see sections below).

  • Containers that inject glibc (v2.38) from the Setonix OS but were built on old OS versions will most likely fail to run. These containers will need to be rebuilt using a newer OS base to avoid the incompatibility. Pawsey has rebuilt supported container images for Setonix using Ubuntu 24.04, but users may also need to rebuild their own. Researchers using Pawsey-provided container images might need to pull the updated versions which are now available from the repository (https://quay.io/organization/pawsey ).

  • Update Slurm batch scripts to reflect the new versions of software

  • ROCm sofware compatability
    If your research group's software was built against ANY of the ROCm versions from the old, 2024.05, software stack, so 5.4.6 through 5.7.3, it will most probably fail now, as the ROCm
    Driver, as noted above, has been updated.
    This newer Driver only supports ROCm 6.1 through 6.4, and the new, 2025.08, software stack currently provides 6.2.0 through 6.4.1, where the latter is the default.
    You may, by swapping to the oldest, 6.2.0, version get a ROCm environment closer to that in
    the old, 5.x series, but required compatabilities may still not be there.
    The best long-term solution is to rebuild software that uses ROCm.

(Please refer to the general documentation if you are unsure on how to proceed on any of the proposed steps.)

Further details about the changes are provided in the following sections. We are also including a section at the end for listing “known issues” that have been discovered after maintenance (and that we are working to solve).

What is new in CPE 25.03

The Cray Programming Environment (CPE) is the programming environment provided by the vendor on Setonix. It has been updated to version 25.03 and includes an updated MPI library, newer versions of GCC (14.2.0) and newer Cray compiler (19.0.0). We still recommend against using the AOCC compiler and programming environment (PrgEnv-aocc) due to on-going issues.

Software stack

The new default version of the software stack is 2025.08, replacing the previous default 2024.05 software stack. The new software stack has been installed using a newer Spack major release, v0.23.1. We have compiled several packages using the Cray compiler and updated the versions of most packages in both the GNU and Cray programming environments. Users can check for the new versions of the software they used via the modulecommands like:

module avail <moduleName>

In the following tables there is a complete list of changes for the GNU programming environment:

Applications

2024.05 (Old stack for PrgEnv-gnu)

2025.08 (New stack for PrgEnv-gnu)

ansys-fluids/2022R1

ansys-fluids/2022R1

ansys-fluids/2023R1

ansys-fluids/2023R1

cdo/2.2.2

cdo/2.2.2
cdo/2.4.4

cp2k/2023.2

cp2k/2023.2
cp2k/2024.3
cp2k/2025.1

cpmd/4.3

cpmd/4.3

gromacs/2022.5-double
gromacs/2022.5-mixed
gromacs/2023-double
gromacs/2023-mixed
gromacs-amd-gfx90a/2023

gromacs/2022.5-double
gromacs/2022.5-mixed
gromacs/2023-double
gromacs/2023-mixed
gromacs/2024.3-double
gromacs/2024.3-mixed
gromacs-amd-gfx90a/2023

lammps/20230802
lammps/20230802.3
lammps-amd-gfx90a/20230802
lammps-amd-gfx90a/20230802.3

lammps/20230802.4
lammps/20240829.1
lammps-amd-gfx90a/20230802.4

namd/2.14
namd/2.15a2

namd3/3.0.1

ncl/6.6.2

ncl/6.6.2

nco/5.1.6

nco/5.1.6
nco/5.2.4

ncview/2.1.9

ncview/2.1.9

nekrs-amd-gfx90a/23.0

nekrs-amd-gfx90a/23.0

nektar/5.0.2

nektar/5.0.2

nwchem/7.2.0

nwchem/7.2.0
nwchem/7.2.3

openfoam/2206

openfoam/2206
openfoam/2312

quantum-espresso/7.2

quantum-espresso/7.2
quantum-espresso/7.4

vasp/5.4.4
vasp6/6.2.1
vasp6/6.3.0

vasp/5.4.4
vasp6/6.2.1
vasp6/6.3.0
vasp6/6.4.3

Astro applications

2024.05 (Old stack for PrgEnv-gnu)

2025.08 (New stack for PrgEnv-gnu)

apr/1.5.2

apr/1.7.5

apr-util/1.6.3

apr-util/1.6.3

birli/0.15.1

birli/0.17.1

calceph/3.5.5

calceph/3.5.5

casacore/3.2.1
casacore/3.3.0
casacore/3.3.0-adios2
casacore/3.3.0-adios2-openmp
casacore/3.3.0-openmp
casacore/3.4.0
casacore/3.4.0-adios2
casacore/3.4.0-adios2-openmp
casacore/3.4.0-openmp
casacore/3.5.0-openmp

casacore/3.2.1
casacore/3.3.0
casacore/3.3.0-adios2
casacore/3.3.0-adios2-openmp
casacore/3.3.0-openmp
casacore/3.4.0
casacore/3.4.0-adios2
casacore/3.4.0-adios2-openmp
casacore/3.4.0-openmp
casacore/3.5.0-openmp

cfitsio/3.49
cfitsio/4.3.0

cfitsio/3.49
cfitsio/4.4.0

chgcentre/1.6

chgcentre/1.6

cppunit/1.14.0

cppunit/1.15.1

cppzmq/4.9.0

cppzmq/4.10.0

 

everybeam/0.5.8

giant-squid/2.0.1

giant-squid/2.2.0

hyperbeam/0.9.3
hyperbeam-amd-gfx90a/0.9.3

hyperbeam/0.10.2-cpu
hyperbeam/0.10.2

hyperdrive/0.4.1
hyperdrive-amd-gfx90a/0.4.1

hyperdrive/0.5.1-cpu
hyperdrive/0.5.1

 

idg/1.0.0

libzmq/4.3.3

libzmq/4.3.5

log4cxx/0.12.1-c++11
log4cxx/0.12.1-c++17

log4cxx/1.2.0-c++11
log4cxx/1.2.0-c++17

mcpp/2.7.2

mcpp/2.7.2

mwalib/1.5.0

mwalib/1.8.7

pgplot/5.2.2

pgplot/5.2.2

 

presto/5.0.1

py-astropy/4.2.1
py-astropy/5.1

py-astropy/4.2.1
py-astropy/5.1

py-emcee/3.1.1

py-emcee/3.1.1

py-funcsigs/1.0.2

py-funcsigs/1.0.2

subversion/1.14.2
subversion/1.9.7

subversion/1.14.2

wcslib/7.3
wcslib/7.3-nocfitsio

wcslib/7.3
wcslib/7.3-nocfitsio

wcstools/3.9.7

wcstools/3.9.7

wsclean/2.9
wsclean/3.4-idg-everybeam
wsclean/3.4-idg-everybeam-mpi

wsclean/2.9-idg
wsclean/3.4-idg
wsclean/3.4-idg-everybeam-mpi

xerces-c/3.2.4-transcoder-gnuiconv
xerces-c/3.2.4-transcoder-iconv

xerces-c/3.3.0-transcoder-gnuiconv
xerces-c/3.3.0-transcoder-iconv

Benchmarking

2024.05 (Old stack for PrgEnv-gnu)

2025.08 (New stack for PrgEnv-gnu)

hpl/2.3
hpl/2.3+openmp

hpl/2.3
hpl/2.3+openmp

ior/3.3.0

ior/3.3.0

osu-micro-benchmarks/7.3

osu-micro-benchmarks/7.5

Bio applications

2024.05 (Old stack for PrgEnv-gnu)

2025.08 (New stack for PrgEnv-gnu)

beast1/1.10.4

beast1/1.10.4

beast2/2.7.4

beast2/2.7.4

exabayes/1.5.1

exabayes/1.5.1

examl/3.0.22

examl/3.0.22

Containers

2024.05 (Old stack for PrgEnv-gnu)

2025.08 (New stack for PrgEnv-gnu)

alphafold/2.3.0

Will be available soon

aws-cli/2.13.0

aws-cli/2.13.0

bamtools/2.5.2--hd03093a_0

bamtools/2.5.2--hd03093a_0

bbmap/38.96--h5c4e2a8_0

bbmap/38.96--h5c4e2a8_0

bcftools/1.15--haf5b3da_0

bcftools/1.15--haf5b3da_0

bedtools/2.30.0--h468198e_3

bedtools/2.30.0--h468198e_3

blast/2.12.0--pl5262h3289130_0

blast/2.12.0--pl5262h3289130_0

bowtie2/2.4.5--py36hd4290be_0

bowtie2/2.4.5--py36hd4290be_0

bwa/0.7.17--h7132678_9

bwa/0.7.17--h7132678_9

bwa-mem2/2.2.1--hd03093a_2

bwa-mem2/2.2.1--hd03093a_2

canu/2.2--ha47f30e_0

canu/2.2--ha47f30e_0

clustalo/1.2.4--h87f3376_5

clustalo/1.2.4--h87f3376_5

cp2k-amd-gfx90a/2022.2

cp2k-amd-gfx90a/2022.2

cutadapt/3.7--py38hbff2b2d_0

cutadapt/3.7--py38hbff2b2d_0

diamond/2.0.14--hdcc8f71_0

diamond/2.0.14--hdcc8f71_0

fastqc/0.11.9--hdfd78af_1

fastqc/0.11.9--hdfd78af_1

gatk4/4.2.5.0--hdfd78af_0

gatk4/4.2.5.0--hdfd78af_0

interproscan/5.56-89.0

interproscan/5.56-89.0

maker/3.01.03--pl5262h8f1cd36_2

maker/3.01.03--pl5262h8f1cd36_2

mrbayes/3.2.7--h5465cc4_4

mrbayes/3.2.7--h5465cc4_4

mummer/3.23--pl5321h87f3376_14

mummer/3.23--pl5321h87f3376_14

namd3-amd-gfx90a/3.0a9

namd3-amd-gfx90a/3.0a9

namd-amd-gfx90a/2.15a2

namd-amd-gfx90a/2.15a2

openfoam-container/v1912
openfoam-container/v2006
openfoam-container/v2012
openfoam-container/v2206
openfoam-container/v2212
openfoam-org-container/10
openfoam-org-container/7
openfoam-org-container/8
openfoam-org-container/9

openfoam-container/v2012
openfoam-container/v2206
openfoam-container/v2212
openfoam-container/v2412
openfoam-org-container/8
openfoam-org-container/9
openfoam-org-container/10
openfoam-org-container/12

pytorch/2.2.0-rocm5.7.3

pytorch/2.7.1-rocm6.3.3

sambamba/1.0--h98b6b92_0

sambamba/1.0--h98b6b92_0

samtools/1.15--h3843a85_0

samtools/1.15--h3843a85_0

spades/3.15.4--h95f258a_0

spades/3.15.4--h95f258a_0

star/2.7.10a--h9ee0642_0

star/2.7.10a--h9ee0642_0

tensorflow/rocm5.6-tf2.12

tensorflow/2.15.1-rocm6.3.3 (with Horovod)
tensorflow/2.17-rocm6.3.3

trimmomatic/0.39--hdfd78af_2

trimmomatic/0.39--hdfd78af_2

trinity/2.13.2--hea94271_3

trinity/2.13.2--hea94271_3

vcftools/0.1.16--pl5321hd03093a_7

vcftools/0.1.16--pl5321hd03093a_7

velvet/1.2.10--h7132678_5

velvet/1.2.10--h7132678_5

Custom built packages

2024.05 (Old stack for PrgEnv-gnu)

2025.08 (New stack for PrgEnv-gnu)

amber/2024
amber-amd-gfx90a/22
amber-amd-gfx90a/24

amber/2024

DEPRECATED

amber-amd-gfx90a/24

hipfort/5.7.1

hipfort/6.3.0

omniperf/1.0.10

rocprofiler-compute/3.0.0

omnitrace/1.11.2-rocm-5.2.3

rocprofiler-systems/6.3.0

Developer tools

2024.05 (Old stack for PrgEnv-gnu)

2025.08 (New stack for PrgEnv-gnu)

caliper/2.10.0

caliper/2.11.0

hpcviewer/2023.07

hpcviewer/2024.09

py-hatchet/1.3.1

py-hatchet/1.4.0

Numerical libraries

2024.05 (Old stack for PrgEnv-gnu)

2025.08 (New stack for PrgEnv-gnu)