Add QE 7.2 hybrid codes for daint (#85)

aiidateam · Jul 21, 2023 · 3c3aac1 · 3c3aac1
1 parent 5bbf3dd
commit 3c3aac1
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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
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+---
+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: ' '