Merge pull request #176 from ingridc2051/add_cupid_workflow

Create cupid workflow

machines/casper/config_machines.xml

@@ -3,7 +3,7 @@
     <OS>LINUX</OS>
     <COMPILERS>nvhpc,intel</COMPILERS>
     <MPILIBS>openmpi</MPILIBS>
-    <CIME_OUTPUT_ROOT>/glade/scratch/$USER</CIME_OUTPUT_ROOT>
+    <CIME_OUTPUT_ROOT>/glade/derecho/scratch/$USER</CIME_OUTPUT_ROOT>
     <DIN_LOC_ROOT>$ENV{CESMDATAROOT}/inputdata</DIN_LOC_ROOT>
     <DIN_LOC_ROOT_CLMFORC>/glade/p/cgd/tss/CTSM_datm_forcing_data</DIN_LOC_ROOT_CLMFORC>
     <DOUT_S_ROOT>$CIME_OUTPUT_ROOT/archive/$CASE</DOUT_S_ROOT>
@@ -108,7 +108,7 @@
     <environment_variables>
       <env name="MODULEPATH">/glade/u/apps/dav/modulefiles/default/compilers:/glade/u/apps/dav/modulefiles/default/idep</env>
       <env name="OMP_STACKSIZE">256M</env>
-      <env name="TMPDIR">/glade/scratch/$USER</env>
+      <env name="TMPDIR">/glade/derecho/scratch/$USER</env>
       <env name="CESMDATAROOT">/glade/p/cesmdata/cseg</env>
       <env name="NETCDF_PATH">$ENV{NETCDF}</env>
     </environment_variables>

machines/config_workflow.xml

@@ -68,6 +68,20 @@
     </job>
   </workflow_jobs>
 
+  <workflow_jobs id="case.cupid" prepend="default">
+    <job name="case.cupid">
+      <template>template.cupid</template>
+      <hidden>false</hidden>
+      <dependency>case.st_archive</dependency>
+      <prereq>1</prereq>
+      <runtime_parameters MACH="derecho">
+	<task_count>1</task_count>
+	<tasks_per_node>1</tasks_per_node>
+	<walltime>0:20:00</walltime>
+      </runtime_parameters>
+    </job>
+  </workflow_jobs>
+
   <!-- THIS CREATES THE JOB FOR THE LAUNCHING OF THE SMARTSIM ORCHESTRATOR -->
   <workflow_jobs id="smartsim_db" prepend="default">
     <job name="smartsim_db"> <!-- name here corresponds with scripts -->

machines/derecho/config_machines.xml

@@ -40,6 +40,8 @@
 	<command name="load">cesmdev/1.0</command>
 	<command name="load">ncarenv/23.09</command>
         <command name="purge"/>
+        <command name="load">conda/latest</command>
+        <command name="load">nco</command>
 	<command name="load">craype</command>
       </modules>
       <modules compiler="intel">

machines/template.cupid

@@ -0,0 +1,47 @@
+#!/bin/bash -e
+
+# Batch system directives
+{{ batchdirectives }}
+
+# Set environment for CESM
+source .env_mach_specific.sh
+
+# Use cupid-infrastructure environment for running these scripts
+# Note: on derecho, the cesmdev module creates a python conflict
+#       by setting $PYTHONPATH; since this is conda-based we
+#       want an empty PYTHONPATH environment variable
+MACH=`./xmlquery --value MACH`
+unset PYTHONPATH
+conda activate cupid-infrastructure
+
+# Set variables that should eventually come from environment file
+CUPID_EXAMPLE=key_metrics
+RUN_CUPID_ANALYSIS=TRUE
+RUN_CUPID_TIMESERIES=TRUE
+
+if [ "${RUN_CUPID_ANALYSIS}" == "TRUE" ]; then
+  # 1. Generate CUPiD config file
+  {{ srcroot }}/tools/CUPiD/helper_scripts/generate_cupid_config_for_cesm_case.py \
+      --cesm-root {{ SRCROOT }}
+
+  # 2. Generate ADF config file
+  {{ srcroot }}/tools/CUPiD/helper_scripts/generate_adf_config_file.py \
+      --cesm-root {{ SRCROOT }} \
+      --cupid-config-loc ${PWD} \
+      --adf-template {{ SRCROOT }}/tools/CUPiD/externals/ADF/config_amwg_default_plots.yaml \
+      --out-file adf_config.yml
+
+  # 3. Generate timeseries files and run ADF
+  if [ "${RUN_CUPID_TIMESERIES}" == "TRUE" ]; then
+    {{ srcroot }}/tools/CUPiD/cupid/run_timeseries.py
+  fi
+  conda deactivate
+  conda activate cupid-analysis
+  {{ SRCROOT }}/tools/CUPiD/externals/ADF/run_adf_diag adf_config.yml
+
+  # 4. Run CUPiD and build webpage
+  conda deactivate
+  conda activate cupid-infrastructure
+  {{ srcroot }}/tools/CUPiD/cupid/run_diagnostics.py
+  {{ srcroot }}/tools/CUPiD/cupid/cupid_webpage.py
+fi