balston

So the job to run the test suite runs the following tests: ``` cd $ESPRESSO_ROOT/test-suite # Run all the default set of tests - pw, cp, ph, epw, hp, tddfpt,...

My example job has run successfully so I'm going to make a module for this version and make it available on Young.

The module file is done and I've submitted a job to test that the module is correctly set up. Will check on Monday.

Test job worked with the module file so I've emailed the Young user (IN06562363) wanting this version. Will now build the GPU version on Myriad.

Running: ``` module unload compilers mpi gcc-libs module load gcc-libs/10.2.0 module load compilers/nvidia/hpc-sdk/22.9 cd /shared/ucl/apps/build_scripts ./quantum-espresso-7.3.1+git+GPU_install 2>&1 | tee ~/Scratch/Software/QuantumEspresso/quantum-espresso-7.3.1+git+GPU_install.log ``` on a Myriad A100 GPU node as _ccspapp_.

Myriad build failed with: ``` make[1]: Leaving directory `/lustre/shared/ucl/apps/quantum-espresso/7.3.1-GPU/nvidia-2022-22.9/q-e/UtilXlib' cd install ; make -f extlibs_makefile libcuda make[1]: Entering directory `/lustre/shared/ucl/apps/quantum-espresso/7.3.1-GPU/nvidia-2022-22.9/q-e/install' initializing external/devxlib submodule ... usage: git submodule [--quiet] add [-b...

I might have been able to fix this problem. Re running the build to see if it works.

The build now runs without errors on Myriad. I'm now going to submit a job to run the test suite on Myriad: ``` qstat job-ID prior name user state submit/start...

I've done a test build of the CPU MPI variant in my Scratch on Kathleen and run the pw test on 4 cores: ``` export NSLOTS=4 make run-tests-pw NPROCS=$NSLOTS 2>&1...

build script for CPU/MPI variant done and running from _ccspapp_ on Kathleen. ``` ./quantum-espresso-7.3.1+git_install 2>&1 | tee ~/Software/QuantumESPRESSO/quantum-espresso-7.3.1+git_install.log ```