adding qe 7.2 hybrid codes

aiidateam · Jul 21, 2023 · e146b3d · e146b3d
1 parent 5bbf3dd
commit e146b3d
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diff --git a/daint.cscs.ch/codes/dos-7.2-hybrid.yaml 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
@@ -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
@@ -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
@@ -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: ' '