[HPC-NEWS] Leonardo: software stack update

[HPC Cineca]

Leonardo: software stack update  (https://www.hpc.cineca.it/newsletter/leonardo-software-stack-update-2/) 

15 April 2025 

Dear Users, 

We have updated the software stack on Leonardo. All of the softwares have been updated using spack 0.22, and from now on only one version of spack will be available for both Booster and DCGP partitions. This new version of spack is available as spack/0.22-06 module. 

For the gcc software stack , we continue to use gcc/12.2.0 and openmpi/4.1.6, but cuda has been updated from version 12.1 to 12.2. As a consequence, packages under the gcc, openmpi and cuda stack have been updated. 
For example, in the current software stack you can find, under profile/chem-phys, the gromacs application with version: gromacs/2023.3—gcc—12.2.0-cuda-12.1. With the new software stack you find an updated version of gromacs: gromacs/2024.2—gcc—12.2.0-cuda-12.2. 

Regarding the stack based on the compiler nvhpc , we updated it from version nvhpc/23.11 to nvhpc/24.5, and for the mpi implementation we make available hpcx-mpi 2.19 and not openmpi as before. 
For example, in the current software stack you find the parmetis library with version: parmetis/4.0.3—openmpi—4.1.6—nvhpc--23.11. With the new software stack you find an updated version of parmetis: parmetis/4.0.3—hpcx-mpi—2.19--nvhpc--24.5. 

Finally, for the stack based on intel-oneapi we updated the compilers intel-oneapi-compilers from version 2023.2.1 to version 2024.1.0, and intel-oneapi-mpi from 2021.10.0 to 2021.12.1, meaning that all of the applications using those compilers have been updated accordingly. 
For example, in the current software stack you find the parmetis library with version: parmetis/4.0.3—intel-oneapi-mpi—2021.10.0—oneapi--2023.2.0. With the new software stack you find an updated version of parmetis: parmetis/4.0.3—intel-oneapi-mpi--2021.12.1--oneapi--2024.1.0. 

We are planning to proceed as follows: from now until the end of May, the old stack will remain the default, meaning that you can continue to load your modules as usual. On the other hand, if you wish to use the new stack you will need to load the candidate profile, and then you can load the package by specifying the version: 
$ module load profile/canditate 
$ module av <package> 
$ module load <package>/version 

For example: 
$ module load profile/candidate 
$ module av gromacs 
$ module load gromacs/2024.2—openmpi--4.1.6--gcc--12.2.0-cuda-12.2 

We strongly recommend to specify in your script the version of the software for any module you want to load , in order to avoid future errors when we will move the new software stack from profile/candidate to profile/base, and the default version of each application will change as a consequence. As we already mentioned, this change will take place at the end of May. We will keep you updated in another newsletter when the final switch of the software stack will take place. 

We appreciate your feedback regarding the use of the new software stack. 

Best regards, 
HPC User Support – CINECA 



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