From 3c3aac155c31f61d06010693d52eb8d35c960bfb Mon Sep 17 00:00:00 2001
From: AndresOrtegaGuerrero
 <34098967+AndresOrtegaGuerrero@users.noreply.github.com>
Date: Fri, 21 Jul 2023 11:30:38 +0200
Subject: [PATCH] Add QE 7.2 hybrid codes for daint (#85)

---
 daint.cscs.ch/codes/dos-7.2-hybrid.yaml     | 10 ++++++++++
 daint.cscs.ch/codes/pp-7.2-hybrid.yaml      | 10 ++++++++++
 daint.cscs.ch/codes/projwfc-7.2-hybrid.yaml | 10 ++++++++++
 daint.cscs.ch/codes/pw-7.2-hybrid.yaml      | 10 ++++++++++
 4 files changed, 40 insertions(+)
 create mode 100644 daint.cscs.ch/codes/dos-7.2-hybrid.yaml
 create mode 100644 daint.cscs.ch/codes/pp-7.2-hybrid.yaml
 create mode 100644 daint.cscs.ch/codes/projwfc-7.2-hybrid.yaml
 create mode 100644 daint.cscs.ch/codes/pw-7.2-hybrid.yaml

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: ' '