From 174867258f5c7c86795317569de673514759459b Mon Sep 17 00:00:00 2001
From: Christoph Knote <christoph.knote@med.uni-augsburg.de>
Date: Fri, 7 Oct 2022 09:09:51 +0200
Subject: [PATCH] Make nodes and tasks configurable per job

---
 blueprints/test_chemistry/config.bash              | 8 ++++++++
 machine_profiles/alcc_spack/batch_preambles/main   | 4 ++--
 machine_profiles/alcc_spack/batch_preambles/spinup | 4 ++--
 machine_profiles/alcc_spack/profile.bash           | 6 ++++++
 master.bash                                        | 4 ++++
 5 files changed, 22 insertions(+), 4 deletions(-)

diff --git a/blueprints/test_chemistry/config.bash b/blueprints/test_chemistry/config.bash
index 536e8c7..553053e 100644
--- a/blueprints/test_chemistry/config.bash
+++ b/blueprints/test_chemistry/config.bash
@@ -97,3 +97,11 @@ chembcInpFile=waccm.inp
 
 # TUV photolysis option 4 data file
 TUVDataPath="/alcc/gpfs2/home/mbees/data/tuv/TUV.phot.bz2"
+
+# --- overriding default values ---
+
+nNodesMain=1
+nTasksPerNodeMain=7
+
+nNodesSpinup=1
+nTasksPerNodeSpinup=7
diff --git a/machine_profiles/alcc_spack/batch_preambles/main b/machine_profiles/alcc_spack/batch_preambles/main
index f321899..bcfbcf3 100644
--- a/machine_profiles/alcc_spack/batch_preambles/main
+++ b/machine_profiles/alcc_spack/batch_preambles/main
@@ -5,8 +5,8 @@
 #SBATCH -o __runDir__/__mainJobName__.%j.%N.out
 #SBATCH -D __runDir__
 #SBATCH -J __mainJobName__
-#SBATCH --nodes=3
-#SBATCH --ntasks-per-node=28
+#SBATCH --nodes=__nNodesMain__
+#SBATCH --ntasks-per-node=__nTasksPerNodeMain__
 #SBATCH --mem-per-cpu=2000
 #SBATCH --mail-type=FAIL
 #SBATCH --mail-user=christoph.knote@med.uni-augsburg.de
diff --git a/machine_profiles/alcc_spack/batch_preambles/spinup b/machine_profiles/alcc_spack/batch_preambles/spinup
index a6daf43..3c3a716 100644
--- a/machine_profiles/alcc_spack/batch_preambles/spinup
+++ b/machine_profiles/alcc_spack/batch_preambles/spinup
@@ -4,8 +4,8 @@
 #SBATCH -o __runDir__/__spinupJobName__.%j.%N.out
 #SBATCH -D __runDir__
 #SBATCH -J __spinupJobName__
-#SBATCH --nodes=1
-#SBATCH --ntasks-per-node=28
+#SBATCH --nodes=__nNodesSpinup__
+#SBATCH --ntasks-per-node=__nTasksPerNodeSpinup__
 #SBATCH --mem-per-cpu=2000
 #SBATCH --mail-type=FAIL
 #SBATCH --mail-user=christoph.knote@med.uni-augsburg.de
diff --git a/machine_profiles/alcc_spack/profile.bash b/machine_profiles/alcc_spack/profile.bash
index c49a7be..6b2e864 100644
--- a/machine_profiles/alcc_spack/profile.bash
+++ b/machine_profiles/alcc_spack/profile.bash
@@ -15,6 +15,12 @@ mpiCommandPre="mpirun"
 mpiCommandMain="mpirun"
 mpiCommandReal=${mpiCommandPre}
 
+nNodesMain=3
+nTasksPerNodeMain=28
+
+nNodesSpinup=1
+nTasksPerNodeSpinup=28
+
 # --- Batch system ---
 
 # argument to submit a job in a held state
diff --git a/master.bash b/master.bash
index bb54139..3fd791f 100755
--- a/master.bash
+++ b/master.bash
@@ -267,6 +267,10 @@ s/__refDateTxt__/${dateTxt}/g
 s/__domains__/${max_dom}/g
 s/__removeRunDir__/${removeRunDir}/g
 s/__metIncSec__/${metIncSec}/g
+s/__nNodesMain__/${nNodesMain}/g
+s/__nTasksPerNodeMain__/${nTasksPerNodeMain}/g
+s/__nNodesSpinup__/${nNodesSpinup}/g
+s/__nTasksPerNodeSpinup__/${nTasksPerNodeSpinup}/g
 EOF
 
 # real run from -spinup to +fcstTime
-- 
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