balston

Running the unit test is failing. Running: ``` module -f unload compilers mpi module load compilers/nvidia/hpc-sdk/22.1 module load python3/recommended cd /home/ccspapp/Software/LAMMPS/tmp.tDAcUNTvaj/lammps-stable_29Sep2021_update2/build ctest -V ``` gives: ``` 1: HWLOC_HIDE_ERRORS=1 1: Test...

So need to use a more up to date gcc-libs module. I'm also going to build versions using GNU compilers (10.2.0) and OpenMPI plus CUDA 11 for the GPU build...

Now build revised basic Nvidia version.

GNU compilers and OpenMPI build script ready to test.

Running: ``` BUILD_UNIT_TESTS=yes ./lammps-29Sep21_2-basic-gnu_install 2>&1 | tee ~/Software/LAMMPS/lammps-29Sep21_2-basic-gnu_install.log-26012022-1 ``` to build GNU version with unit tests.

The Nvivia build is still not working correctly so I have switched to the GNU build for the moment.

GNU build for basic version has completed. I've quickly started the first couple of unit tests and they pass. So will submit a job to run the full set tomorrow....

NOTE: the following modules are needed for the build and runtime for the basic version: ``` module -f unload compilers mpi gcc-libs module load beta-modules module load gcc-libs/10.2.0 module load...

Unit Test job for the GNU basic version submitted.

Unit tests all passed: ``` 100% tests passed, 0 tests failed out of 481 Total Test time (real) = 436.38 sec ```