balston

Now need a module file and can then try running some real examples.

GNU version of GPU build script ready to run using these configuration options: ``` cmake -C ../cmake/presets/gcc.cmake -C ../cmake/presets/most.cmake -D GPU_API=cuda -D GPU_PREC=mixed -D GPU_ARCH=sm_80 -D BUILD_SHARED_LIBS=yes -D CMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} ../cmake...

According to the documentation setting _-D GPU_ARCH=sm_80_ is a default and it should also include "support for all major GPU architectures supported by" the loaded CUDA module. _sm_80_ is the...

Running GPU build: ``` module -f unload gcc-libs module load beta-modules BUILD_UNIT_TESTS=yes ./lammps-29Sep21_2-gpu-gnu_install 2>&1 | tee ~/Software/LAMMPS/lammps-29Sep21_2-gpu-gnu_install.log-27012022-1 ```

GPU build has finished. Checking to see if it has built correctly.

More work needed on the build script - it has completely ignored building with CUDA!

IN05118528 wants to use the basic (MPI) version on Young now.

Basic GNU build version module ready to use for testing on Myriad. Needs the following module commands: ``` module -f unload compilers mpi gcc-libs module load beta-modules module load gcc-libs/10.2.0...

Building the basic non GPU version on Kathleen to test multi-node stuff prior to building on Young. Fixed (I think) the GPU build script to actually built the GPU version!...

Cannot attempt installing this version until Young is back in service.