diff --git a/daint.cscs.ch/codes/dos-7.2-hybrid.yaml b/daint.cscs.ch/codes/dos-7.2-hybrid.yaml new file mode 100644 index 0000000..13a8c08 --- /dev/null +++ b/daint.cscs.ch/codes/dos-7.2-hybrid.yaml @@ -0,0 +1,10 @@ +--- +label: dos-7.2 +description: DOS compiled for daint-gpu +default_calc_job_plugin: quantumespresso.projwfc +filepath_executable: /apps/daint/UES/jenkins/7.0.UP03/21.09/daint-gpu/software/QuantumESPRESSO/7.2-CrayNvidia-21.09/bin/dos.x +computer: daint-hybrid-s1141 +prepend_text: | + module load daint-gpu + module load QuantumESPRESSO +append_text: ' ' diff --git a/daint.cscs.ch/codes/pp-7.2-hybrid.yaml b/daint.cscs.ch/codes/pp-7.2-hybrid.yaml new file mode 100644 index 0000000..eda4ce2 --- /dev/null +++ b/daint.cscs.ch/codes/pp-7.2-hybrid.yaml @@ -0,0 +1,10 @@ +--- +label: pp-7.2 +description: PP compiled for daint-gpu +default_calc_job_plugin: quantumespresso.pp +filepath_executable: /apps/daint/UES/jenkins/7.0.UP03/21.09/daint-gpu/software/QuantumESPRESSO/7.2-CrayNvidia-21.09/bin/pp.x +computer: daint-hybrid-s1141 +prepend_text: | + module load daint-gpu + module load QuantumESPRESSO +append_text: ' ' diff --git a/daint.cscs.ch/codes/projwfc-7.2-hybrid.yaml b/daint.cscs.ch/codes/projwfc-7.2-hybrid.yaml new file mode 100644 index 0000000..0c7491c --- /dev/null +++ b/daint.cscs.ch/codes/projwfc-7.2-hybrid.yaml @@ -0,0 +1,10 @@ +--- +label: projwfc-7.2 +description: PROJWFC compiled for daint-gpu +default_calc_job_plugin: quantumespresso.projwfc +filepath_executable: /apps/daint/UES/jenkins/7.0.UP03/21.09/daint-gpu/software/QuantumESPRESSO/7.2-CrayNvidia-21.09/bin/projwfc.x +computer: daint-hybrid-s1141 +prepend_text: | + module load daint-gpu + module load QuantumESPRESSO +append_text: ' ' diff --git a/daint.cscs.ch/codes/pw-7.2-hybrid.yaml b/daint.cscs.ch/codes/pw-7.2-hybrid.yaml new file mode 100644 index 0000000..018ed5d --- /dev/null +++ b/daint.cscs.ch/codes/pw-7.2-hybrid.yaml @@ -0,0 +1,10 @@ +--- +label: pw-7.2 +description: PW compiled for daint-gpu +default_calc_job_plugin: quantumespresso.pw +filepath_executable: /apps/daint/UES/jenkins/7.0.UP03/21.09/daint-gpu/software/QuantumESPRESSO/7.2-CrayNvidia-21.09/bin/pw.x +computer: daint-hybrid-s1141 +prepend_text: | + module load daint-gpu + module load QuantumESPRESSO +append_text: ' '