Enable forecast-only experiments on Hercules (#2128)

This add forecast-only support for Hercules to the global workflow. Partially satisfies #1588.
Co-authored-by: Walter Kolczynski - NOAA <[email protected]>

README.md

@@ -18,6 +18,7 @@ The `global-workflow` current supports the following tier-1 machines:
 
 * NOAA RDHPCS - Hera
 * MSU HPC - Orion
+* MSU HPC - Hercules
 * NOAA's operational HPC - WCOSS2
 
 Additionally, the following tier-2 machine is supported:

docs/note_fixfield.txt

@@ -3,7 +3,7 @@ For EMC, the fix fields for running the model are not included in git repository
 They are saved locally on all platforms
 
 Hera: /scratch1/NCEPDEV/global/glopara/fix
-Orion: /work/noaa/global/glopara/fix
+Orion/Hercules: /work/noaa/global/glopara/fix
 Jet: /mnt/lfs4/HFIP/hfv3gfs/glopara/git/fv3gfs/fix
 S4: /data/prod/glopara/fix
 

docs/source/clone.rst

@@ -32,7 +32,7 @@ For cycled (w/ data assimilation) use the `-g` option during checkout:
 
 For coupled cycling (include new UFSDA) use the `-gu` options during checkout:
 
-[Currently only available on Hera and Orion]
+[Currently only available on Hera, Orion, and Hercules]
 
 ::
 
@@ -110,7 +110,7 @@ Or with the ``-g`` switch to include data assimilation (GSI) for cycling:
    ./checkout.sh -g
 
 Or also with the ``-u`` swtich to include coupled DA (via UFSDA):
-[Currently only available on Hera and Orion]
+[Currently only available on Hera, Orion, and Hercules]
 
 ::
 

docs/source/components.rst

@@ -57,7 +57,7 @@ Data
 Observation data, also known as dump data, is prepared in production and then archived in a global dump archive (GDA) for use by users when running cycled experiments. The GDA (identified as ``$DMPDIR`` in the workflow) is available on supported platforms and the workflow system knows where to find the data.
 
 * Hera: /scratch1/NCEPDEV/global/glopara/dump
-* Orion: /work/noaa/rstprod/dump
+* Orion/Hercules: /work/noaa/rstprod/dump
 * Jet: /mnt/lfs4/HFIP/hfv3gfs/glopara/dump
 * WCOSS2: /lfs/h2/emc/global/noscrub/emc.global/dump
 * S4: /data/prod/glopara/dump

docs/source/hpc.rst

@@ -19,6 +19,7 @@ HPC helpdesks
 * WCOSS2: [email protected]
 * Hera: [email protected]
 * Orion:  [email protected]
+* Hercules:  [email protected]
 * HPSS: [email protected]
 * Gaea: [email protected]
 * S4: [email protected]
@@ -72,19 +73,21 @@ Version
 It is advised to use Git v2+ when available. At the time of writing this documentation the default Git clients on the different machines were as noted in the table below. It is recommended that you check the default modules before loading recommended ones:
 
 +---------+----------+---------------------------------------+
-| Machine | Default  | Recommended                           |
+| Machine  | Default  | Recommended                           |
 +---------+----------+---------------------------------------+
-| Hera    | v2.18.0  | default                               |
+| Hera     | v2.18.0  | default                               |
 +---------+----------+---------------------------------------+
-| Orion   | v1.8.3.1 | **module load git/2.28.0**            |
+| Hercules | v2.31.1  | default                               |
 +---------+----------+---------------------------------------+
-| Jet     | v2.18.0  | default                               |
+| Orion    | v1.8.3.1 | **module load git/2.28.0**            |
 +---------+----------+---------------------------------------+
-| WCOSS2  | v2.26.2  | default or **module load git/2.29.0** |
+| Jet      | v2.18.0  | default                               |
 +---------+----------+---------------------------------------+
-| S4      | v1.8.3.1 | **module load git/2.30.0**            |
+| WCOSS2   | v2.26.2  | default or **module load git/2.29.0** |
 +---------+----------+---------------------------------------+
-| AWS PW  | v1.8.3.1 | default
+| S4       | v1.8.3.1 | **module load git/2.30.0**            |
++---------+----------+---------------------------------------+
+| AWS PW   | v1.8.3.1 | default
 +---------+----------+---------------------------------------+
 
 ^^^^^^^^^^^^^
@@ -103,7 +106,7 @@ For the manage_externals utility functioning::
    Fix: git config --global ssh.variant ssh
 
 ========================================
-Stacksize on R&Ds (Hera, Orion, Jet, S4)
+Stacksize on R&Ds (Hera, Orion, Hercules, Jet, S4)
 ========================================
 
 Some GFS components, like the UPP, need an unlimited stacksize. Add the following setting into your appropriate .*rc file to support these components:

docs/source/init.rst

@@ -49,7 +49,7 @@ Cold-start atmosphere-only cycled C96 deterministic C48 enkf (80 members) ICs ar
 ::
 
    Hera: /scratch1/NCEPDEV/global/glopara/data/ICSDIR/C96C48
-   Orion: /work/noaa/global/glopara/data/ICSDIR/C96C48
+   Orion/Hercules: /work/noaa/global/glopara/data/ICSDIR/C96C48
    WCOSS2: /lfs/h2/emc/global/noscrub/emc.global/data/ICSDIR/C96C48
 
 Start date = 2021122018
@@ -108,7 +108,7 @@ Warm-start cycled w/ coupled (S2S) model C48 atmosphere C48 enkf (80 members) 5
 ::
 
    Hera: /scratch1/NCEPDEV/global/glopara/data/ICSDIR/C48C48mx500
-   Orion: /work/noaa/global/glopara/data/ICSDIR/C48C48mx500
+   Orion/Hercules: /work/noaa/global/glopara/data/ICSDIR/C48C48mx500
    WCOSS2: /lfs/h2/emc/global/noscrub/emc.global/data/ICSDIR/C48C48mx500
    Jet: /lfs4/HFIP/hfv3gfs/glopara/data/ICSDIR/C48C48mx500
 
@@ -224,7 +224,7 @@ Forecast-only P8 prototype initial conditions are made available to users on sup
 
     WCOSS2: /lfs/h2/emc/global/noscrub/emc.global/IC/COUPLED
     HERA: /scratch1/NCEPDEV/climate/role.ufscpara/IC
-    ORION: /work/noaa/global/glopara/data/ICSDIR/prototype_ICs
+    ORION/Hercules: /work/noaa/global/glopara/data/ICSDIR/prototype_ICs
     JET: /mnt/lfs4/HFIP/hfv3gfs/glopara/data/ICSDIR/prototype_ICs
     S4: /data/prod/glopara/coupled_ICs
 
@@ -253,7 +253,7 @@ Not yet supported. See :ref:`Manual Generation<manual-generation>` section below
 ---------------------
 Forecast-only coupled
 ---------------------
-Coupled initial conditions are currently only generated offline and copied prior to the forecast run. Prototype initial conditions will automatically be used when setting up an experiment as an S2SW app, there is no need to do anything additional. Copies of initial conditions from the prototype runs are currently maintained on Hera, Orion, Jet, and WCOSS2. The locations used are determined by ``parm/config/config.coupled_ic``. If you need prototype ICs on another machine, please contact Walter ([email protected]).
+Coupled initial conditions are currently only generated offline and copied prior to the forecast run. Prototype initial conditions will automatically be used when setting up an experiment as an S2SW app, there is no need to do anything additional. Copies of initial conditions from the prototype runs are currently maintained on Hera, Orion/Hercules, Jet, and WCOSS2. The locations used are determined by ``parm/config/config.coupled_ic``. If you need prototype ICs on another machine, please contact Walter ([email protected]).
 
 .. _forecastonly-atmonly:
 
@@ -354,7 +354,7 @@ Then switch to a different tag or use the default branch (develop).
 where ``$MACHINE`` is ``wcoss2``, ``hera``, or ``jet``.
 
 .. note::
-   UFS-UTILS builds on Orion but due to the lack of HPSS access on Orion the ``gdas_init`` utility is not supported there.
+   UFS-UTILS builds on Orion/Hercules but due to the lack of HPSS access on Orion/Hercules the ``gdas_init`` utility is not supported there.
 
 3. Configure your conversion:
 
@@ -380,7 +380,7 @@ Most users will want to adjust the following ``config`` settings for the current
 where ``$MACHINE`` is currently ``wcoss2``,  ``hera`` or ``jet``. Additional options will be available as support for other machines expands.
 
 .. note::
-   UFS-UTILS builds on Orion but due to lack of HPSS access there is no ``gdas_init`` driver for Orion nor support to pull initial conditions from HPSS for the ``gdas_init`` utility.
+   UFS-UTILS builds on Orion/Hercules but due to lack of HPSS access there is no ``gdas_init`` driver for Orion/Hercules nor support to pull initial conditions from HPSS for the ``gdas_init`` utility.
 
 Several small jobs will be submitted:
 

docs/source/start.rst

@@ -23,7 +23,7 @@ Set up your experiment cron
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
 .. note::
-   Orion currently only supports cron on Orion-login-1. Cron support for other login nodes is coming in the future.
+   Orion and Hercules currently only support cron on Orion-login-1 and Hercules-login-1, respectively. Cron support for other login nodes is coming in the future.
 
 ::
 

env/HERCULES.env

@@ -0,0 +1,69 @@
+#! /usr/bin/env bash
+
+if [[ $# -ne 1 ]]; then
+
+    echo "Must specify an input argument to set runtime environment variables!"
+    echo "argument can be any one of the following:"
+    echo "fcst post"
+    echo "Note: Hercules is only set up to run in forecast-only mode"
+    exit 1
+
+fi
+
+step=$1
+
+export npe_node_max=40
+export launcher="srun -l --export=ALL"
+export mpmd_opt="--multi-prog --output=mpmd.%j.%t.out"
+
+# Configure MPI environment
+export MPI_BUFS_PER_PROC=2048
+export MPI_BUFS_PER_HOST=2048
+export MPI_GROUP_MAX=256
+export MPI_MEMMAP_OFF=1
+export MP_STDOUTMODE="ORDERED"
+export KMP_AFFINITY=scatter
+export OMP_STACKSIZE=2048000
+export NTHSTACK=1024000000
+#export LD_BIND_NOW=1
+
+ulimit -s unlimited
+ulimit -a
+
+if [[ "${step}" = "waveinit" ]] || [[ "${step}" = "waveprep" ]] || [[ "${step}" = "wavepostsbs" ]] || \
+    [[ "${step}" = "wavepostbndpnt" ]] || [[ "${step}" = "wavepostpnt" ]] || [[ "${step}" == "wavepostbndpntbll" ]]; then
+
+    export CFP_MP="YES"
+    if [[ "${step}" = "waveprep" ]]; then export MP_PULSE=0 ; fi
+    export wavempexec=${launcher}
+    export wave_mpmd=${mpmd_opt}
+
+elif [[ "${step}" = "fcst" ]]; then
+
+    export OMP_STACKSIZE=512M
+    if [[ "${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}" = "upp" ]]; then
+
+    nth_max=$((npe_node_max / npe_node_upp))
+
+    export NTHREADS_UPP=${nth_upp:-1}
+    [[ ${NTHREADS_UPP} -gt ${nth_max} ]] && export NTHREADS_UPP=${nth_max}
+    export APRUN_UPP="${launcher} -n ${npe_upp} --cpus-per-task=${NTHREADS_UPP}"
+
+elif [[ "${step}" = "atmos_products" ]]; then
+
+    export USE_CFP="YES"  # Use MPMD for downstream product generation
+
+fi

modulefiles/module-setup.csh.inc

@@ -19,11 +19,18 @@ else if ( { test -d /scratch1 } ) then
         source /apps/lmod/lmod/init/$__ms_shell
     endif
     module purge
-else if ( { test -d /work } ) then
-    # We are on MSU Orion
-    if ( ! { module help >& /dev/null } ) then
-        source /apps/lmod/init/$__ms_shell
-    endif
+elif [[ -d /work ]] ; then
+    # We are on MSU Orion or Hercules
+    if [[ -d /apps/other ]] ; then
+        # Hercules
+        init_path="/apps/other/lmod/lmod/init/$__ms_shell"
+    else
+        # Orion
+        init_path="/apps/lmod/lmod/init/$__ms_shell"
+    fi
+    if ( ! eval module help > /dev/null 2>&1 ) ; then
+        source "${init_path}"
+    fi
     module purge
 else if ( { test -d /data/prod } ) then
     # We are on SSEC S4

modulefiles/module-setup.sh.inc

@@ -35,9 +35,16 @@ elif [[ -d /scratch1 ]] ; then
     fi
     module purge
 elif [[ -d /work ]] ; then
-    # We are on MSU Orion
+    # We are on MSU Orion or Hercules
+    if [[ -d /apps/other ]] ; then
+        # Hercules
+        init_path="/apps/other/lmod/lmod/init/$__ms_shell"
+    else
+        # Orion
+        init_path="/apps/lmod/lmod/init/$__ms_shell"
+    fi
     if ( ! eval module help > /dev/null 2>&1 ) ; then
-        source /apps/lmod/lmod/init/$__ms_shell
+        source "${init_path}"
     fi
     module purge
 elif [[ -d /glade ]] ; then

modulefiles/module_base.hercules.lua

@@ -0,0 +1,46 @@
+help([[
+Load environment to run GFS on Hercules
+]])
+
+spack_stack_ver=(os.getenv("spack_stack_ver") or "None")
+spack_env=(os.getenv("spack_env") or "None")
+prepend_path("MODULEPATH", "/work/noaa/epic/role-epic/spack-stack/hercules/spack-stack-" .. spack_stack_ver .. "/envs/" .. spack_env .. "/install/modulefiles/Core")
+
+load(pathJoin("stack-intel", os.getenv("stack_intel_ver")))
+load(pathJoin("stack-intel-oneapi-mpi", os.getenv("stack_impi_ver")))
+load(pathJoin("python", os.getenv("python_ver")))
+
+-- TODO load NCL once the SAs remove the 'depends_on' statements within it
+--      NCL is a static installation and does not depend on any libraries
+--      but as is will load, among others, the system netcdf-c/4.9.0 module
+--load(pathJoin("ncl", os.getenv("ncl_ver")))
+load(pathJoin("jasper", os.getenv("jasper_ver")))
+load(pathJoin("libpng", os.getenv("libpng_ver")))
+load(pathJoin("cdo", os.getenv("cdo_ver")))
+
+load(pathJoin("hdf5", os.getenv("hdf5_ver")))
+load(pathJoin("netcdf-c", os.getenv("netcdf_c_ver")))
+load(pathJoin("netcdf-fortran", os.getenv("netcdf_fortran_ver")))
+
+load(pathJoin("nco", os.getenv("nco_ver")))
+load(pathJoin("prod_util", os.getenv("prod_util_ver")))
+load(pathJoin("grib-util", os.getenv("grib_util_ver")))
+load(pathJoin("g2tmpl", os.getenv("g2tmpl_ver")))
+load(pathJoin("gsi-ncdiag", os.getenv("gsi_ncdiag_ver")))
+load(pathJoin("crtm", os.getenv("crtm_ver")))
+load(pathJoin("bufr", os.getenv("bufr_ver")))
+load(pathJoin("wgrib2", os.getenv("wgrib2_ver")))
+load(pathJoin("py-netcdf4", os.getenv("py_netcdf4_ver")))
+load(pathJoin("py-pyyaml", os.getenv("py_pyyaml_ver")))
+load(pathJoin("py-jinja2", os.getenv("py_jinja2_ver")))
+
+setenv("WGRIB2","wgrib2")
+setenv("UTILROOT",(os.getenv("prod_util_ROOT") or "None"))
+
+prepend_path("MODULEPATH", pathJoin("/work/noaa/global/glopara/git/prepobs/feature-GFSv17_com_reorg_log_update/modulefiles"))
+load(pathJoin("prepobs", os.getenv("prepobs_run_ver")))
+
+prepend_path("MODULEPATH", pathJoin("/work/noaa/global/glopara/git/Fit2Obs/v" .. (os.getenv("fit2obs_ver") or "None"), "modulefiles"))
+load(pathJoin("fit2obs", os.getenv("fit2obs_ver")))
+
+whatis("Description: GFS run environment")

modulefiles/module_gwci.hercules.lua

@@ -0,0 +1,15 @@
+help([[
+Load environment to run GFS workflow ci scripts on Hercules
+]])
+
+prepend_path("MODULEPATH", "/work/noaa/epic/role-epic/spack-stack/hercules/spack-stack-1.5.1/envs/gsi-addon/install/modulefiles/Core")
+
+load(pathJoin("stack-intel", os.getenv("2021.9.0")))
+load(pathJoin("stack-intel-oneapi-mpi", os.getenv("2021.9.0")))
+
+load(pathJoin("netcdf-c", os.getenv("4.9.2")))
+load(pathJoin("netcdf-fortran", os.getenv("4.6.0")))
+load(pathJoin("nccmp","1.9.0.1"))
+load(pathJoin("wgrib2", "3.1.1"))
+
+whatis("Description: GFS run ci top-level sripts environment")

modulefiles/module_gwsetup.hercules.lua

@@ -0,0 +1,19 @@
+help([[
+Load environment to run GFS workflow ci scripts on Hercules
+]])
+
+load(pathJoin("contrib","0.1"))
+load(pathJoin("rocoto","1.3.5"))
+
+prepend_path("MODULEPATH", "/work/noaa/epic/role-epic/spack-stack/hercules/spack-stack-1.5.1/envs/gsi-addon/install/modulefiles/Core")
+
+local stack_intel_ver=os.getenv("stack_intel_ver") or "2021.9.0"
+local python_ver=os.getenv("python_ver") or "3.10.8"
+
+load(pathJoin("stack-intel", stack_intel_ver))
+load(pathJoin("python", python_ver))
+load("py-jinja2")
+load("py-pyyaml")
+load("py-numpy")
+
+whatis("Description: GFS run setup environment")

parm/config/gefs/config.resources

@@ -43,6 +43,8 @@ elif [[ ${machine} = "S4" ]]; then
    fi
 elif [[ ${machine} = "ORION" ]]; then
    export npe_node_max=40
+elif [[ ${machine} = "HERCULES" ]]; then
+   export npe_node_max=40
 fi
 
 if [[ ${step} = "prep" ]]; then

parm/config/gefs/config.ufs

@@ -72,7 +72,7 @@ case "${machine}" in
   "WCOSS2")
     npe_node_max=128
     ;;
-  "HERA" | "ORION")
+  "HERA" | "ORION" | "HERCULES" )
     npe_node_max=40
     ;;
   "JET")

parm/config/gfs/config.aero

@@ -11,7 +11,7 @@ case ${machine} in
   "HERA")
     AERO_INPUTS_DIR="/scratch1/NCEPDEV/global/glopara/data/gocart_emissions"
     ;;
-  "ORION")
+  "ORION" | "HERCULES")
     AERO_INPUTS_DIR="/work2/noaa/global/wkolczyn/noscrub/global-workflow/gocart_emissions"
     ;;
   "S4")

parm/config/gfs/config.resources

@@ -55,6 +55,8 @@ elif [[ "${machine}" = "AWSPW" ]]; then
      export npe_node_max=40
 elif [[ ${machine} = "ORION" ]]; then
    export npe_node_max=40
+elif [[ ${machine} = "HERCULES" ]]; then
+   export npe_node_max=40
 fi
 
 if [[ ${step} = "prep" ]]; then

parm/config/gfs/config.ufs

@@ -72,7 +72,7 @@ case "${machine}" in
   "WCOSS2")
     npe_node_max=128
     ;;
-  "HERA" | "ORION")
+  "HERA" | "ORION" | "HERCULES")
     npe_node_max=40
     ;;
   "JET")