balston

LAMMPS 2nd August 2023 is now the latest release so install this one.

A build of LAMMPS 2nd August 2023 using GNU compilers and FFTW is now on Myriad and Young using our build scripts method: ``` module -f unload compilers mpi gcc-libs...

I now have the module file on Myriad and Young and have submitted test jobs on both clusters.

Both the test jobs on Myriad and Young worked. Modules needed for basic GNU FFTW version are: **Myriad** ``` module -f unload compilers mpi gcc-libs module load beta-modules module load...

Now working on the GNU + GPU build. Build script updated and pulled to Young. Needs to be built on a GPU node so job submitted to build LAMMPS 2nd...

Build job for LAMMPS 2nd August 2023 GNU+GPU submitted on Myriad as well.

Both jobs are running.

CPU build done on Kathleen and test job submitted.

I've only had time today to check the output from the test job on Kathleen. It looks like it has worked ok.

Look at: ``` /home/ccspapp/Software/LAMMPS/tmp.2P0AWpwdjR/lammps-2Aug2023/cmake/presets/most.cmake ``` for list of LAMMPS packages in our default CPU builds.