Fix xml file setup and complete C48 ATM and S2SW runs for CI on Gaea (#…

…2701)

This PR sets up the ability on Gaea for auto generation of a clean xml
file, i.e., an xml file that does not need any alterations before
running rocoto.
Refs #2572 
Refs #2664

env/GAEA.env

@@ -12,24 +12,52 @@ step=$1
 export launcher="srun -l --export=ALL"
 export mpmd_opt="--multi-prog --output=mpmd.%j.%t.out"
 
+export OMP_STACKSIZE=2048000
+export NTHSTACK=1024000000
+
 ulimit -s unlimited
 ulimit -a
 
-if [[ "${step}" = "fcst" ]]; then
+if [[ "${step}" = "waveinit" ]]; then
+
+    export CFP_MP="YES"
+    if [[ "${step}" = "waveprep" ]]; then export MP_PULSE=0 ; fi
+    export wavempexec=${launcher}
+    export wave_mpmd=${mpmd_opt}
 
-    ppn="npe_node_${step}_${RUN}"
-    [[ -z "${!ppn+0}" ]] && ppn="npe_node_${step}"
-    nprocs="npe_${step}_${RUN}"
-    [[ -z ${!nprocs+0} ]] && nprocs="npe_${step}"
+elif [[ "${step}" = "fcst" ]]; then
 
+    if [[ "${CDUMP}" =~ "gfs" ]]; then
+        nprocs="npe_${step}_gfs"
+        ppn="npe_node_${step}_gfs" || ppn="npe_node_${step}"
+    else
+        nprocs="npe_${step}"
+        ppn="npe_node_${step}"
+    fi
     (( nnodes = (${!nprocs}+${!ppn}-1)/${!ppn} ))
     (( ntasks = nnodes*${!ppn} ))
     # With ESMF threading, the model wants to use the full node
     export APRUN_UFS="${launcher} -n ${ntasks}"
     unset nprocs ppn nnodes ntasks
 
+
 elif [[ "${step}" = "atmos_products" ]]; then
 
-    export USE_CFP="YES"  # Use MPMD for downstream product generation
+    export USE_CFP="YES"  # Use MPMD for downstream product generation on Hera
+
+elif [[ "${step}" = "oceanice_products" ]]; then
+
+    nth_max=$((npe_node_max / npe_node_oceanice_products))
+
+    export NTHREADS_OCNICEPOST=${nth_oceanice_products:-1}
+    export APRUN_OCNICEPOST="${launcher} -n 1 --cpus-per-task=${NTHREADS_OCNICEPOST}"
+
+elif [[ "${step}" = "fit2obs" ]]; then
+
+    nth_max=$((npe_node_max / npe_node_fit2obs))
+
+    export NTHREADS_FIT2OBS=${nth_fit2obs:-1}
+    [[ ${NTHREADS_FIT2OBS} -gt ${nth_max} ]] && export NTHREADS_FIT2OBS=${nth_max}
+    export MPIRUN="${launcher} -n ${npe_fit2obs} --cpus-per-task=${NTHREADS_FIT2OBS}"
 
 fi

parm/config/gfs/config.base

@@ -19,6 +19,7 @@ export QUEUE_SERVICE="@QUEUE_SERVICE@"
 export PARTITION_BATCH="@PARTITION_BATCH@"
 export PARTITION_SERVICE="@PARTITION_SERVICE@"
 export RESERVATION="@RESERVATION@"
+export CLUSTERS="@CLUSTERS@"
 
 # Project to use in mass store:
 export HPSS_PROJECT="@HPSS_PROJECT@"

parm/config/gfs/config.resources.GAEA

@@ -20,3 +20,8 @@ case ${step} in
     ;;
 
 esac
+
+# shellcheck disable=SC2312
+for mem_var in $(env | grep '^memory_' | cut -d= -f1); do
+  unset "${mem_var}"
+done

sorc/link_workflow.sh

@@ -75,7 +75,7 @@ case "${machine}" in
   "hercules") FIX_DIR="/work/noaa/global/glopara/fix" ;;
   "jet")      FIX_DIR="/lfs4/HFIP/hfv3gfs/glopara/git/fv3gfs/fix" ;;
   "s4")       FIX_DIR="/data/prod/glopara/fix" ;;
-  "gaea")     FIX_DIR="/gpfs/f5/epic/proj-shared/global/glopara/data/fix" ;;
+  "gaea")     FIX_DIR="/gpfs/f5/ufs-ard/world-shared/global/glopara/data/fix" ;;
   *)
     echo "FATAL: Unknown target machine ${machine}, couldn't set FIX_DIR"
     exit 1

workflow/hosts/gaea.yaml

@@ -1,19 +1,22 @@
-BASE_GIT: '/gpfs/f5/epic/proj-shared/global/glopara/data/git'
-DMPDIR: '/gpfs/f5/epic/proj-shared/global/glopara/data/dump'
-BASE_CPLIC: '/gpfs/f5/epic/proj-shared/global/glopara/data/ICSDIR/prototype_ICs'
-PACKAGEROOT: '/gpfs/f5/epic/proj-shared/global/glopara/data/nwpara'
-COMROOT: '/gpfs/f5/epic/proj-shared/global/glopara/data/com'
+BASE_GIT: '/gpfs/f5/ufs-ard/world-shared/global/glopara/data/git'
+DMPDIR: '/gpfs/f5/ufs-ard/world-shared/global/glopara/data/dump'
+BASE_CPLIC: '/gpfs/f5/ufs-ard/world-shared/global/glopara/data/ICSDIR/prototype_ICs'
+PACKAGEROOT: '/gpfs/f5/ufs-ard/world-shared/global/glopara/data/nwpara'
+COMROOT: '/gpfs/f5/ufs-ard/world-shared/global/glopara/data/com'
 COMINsyn: '${COMROOT}/gfs/prod/syndat'
-HOMEDIR: '/gpfs/f5/epic/scratch/${USER}'
-STMP: '/gpfs/f5/epic/scratch/${USER}'
-PTMP: '/gpfs/f5/epic/scratch/${USER}'
+HOMEDIR: '/gpfs/f5/ufs-ard/scratch/${USER}'
+STMP: '/gpfs/f5/ufs-ard/scratch/${USER}'
+PTMP: '/gpfs/f5/ufs-ard/scratch/${USER}'
 NOSCRUB: $HOMEDIR
-ACCOUNT: epic
+ACCOUNT: ufs-ard
+ACCOUNT_SERVICE: ufs-ard
 SCHEDULER: slurm
 QUEUE: normal
 QUEUE_SERVICE: normal
 PARTITION_BATCH: batch
 PARTITION_SERVICE: batch
+RESERVATION: ''
+CLUSTERS: 'c5'
 CHGRP_RSTPROD: 'NO'
 CHGRP_CMD: 'chgrp rstprod'
 HPSSARCH: 'NO'

workflow/rocoto/tasks.py

@@ -226,6 +226,8 @@ def get_resource(self, task_name):
             native = '--export=NONE'
             if task_config['RESERVATION'] != "":
                 native += '' if task_name in Tasks.SERVICE_TASKS else ' --reservation=' + task_config['RESERVATION']
+            if task_config['CLUSTERS'] != "":
+                native += ' --clusters=' + task_config['CLUSTERS']
 
         queue = task_config['QUEUE_SERVICE'] if task_name in Tasks.SERVICE_TASKS else task_config['QUEUE']