diff --git a/daint.cscs.ch/gpu/codes/sirius-pw.yaml b/daint.cscs.ch/gpu/codes/sirius-pw.yaml new file mode 100644 index 0000000..8594f59 --- /dev/null +++ b/daint.cscs.ch/gpu/codes/sirius-pw.yaml @@ -0,0 +1,8 @@ +--- +label: sirius-pw +description: SIRIUS-enabled Quantum ESPRESSO v7.2 pw.x ; +default_calc_job_plugin: quantumespresso.pw +filepath_executable: /apps/daint/SSL/simonpi/spack-views/q-e-sirius-nlcg/.spack-env/view/bin/pw.x +prepend_text: |- + module load daint-gpu +append_text: ' '