Modifications to get Isca to run on Derecho at NCAR

ci/environment-py3.12_ncar-derecho.yml

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+name: isca_env
+channels:
+- conda-forge
+dependencies:
+- dask=2024.1.0
+- f90nml=1.4.4
+- ipykernel=6.29.0
+- jinja2=3.1.3
+- numpy=1.26.3
+- pandas=2.2.0
+- python=3.12.1
+- pip=23.3.2
+- pytest=7.4.4 
+- sh=2.0.6
+- tqdm=4.66.1
+- xarray=2024.1.1

exp/site_specific/ncar/Readme.md

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+Quick start guide for running Isca on NSF NCAR's Derecho HPC Machine
+-- March 2025, Rory Kelly ([email protected])
+1. Download the Isca code
+   ```bash
+   git clone https://github.com/ExeClim/Isca
+   ```
+
+2. Set up the environment
+   ```bash
+   cd Isca
+
+   module --force purge
+   module load ncarenv/23.09 intel/2023.2.1 craype/2.7.31 cray-mpich/8.1.27 ncarcompilers/1.0.0 hdf5/1.12.2 netcdf/4.9.2 conda/latest
+
+   mamba env create -f ci/environment-py3.12_ncar-derecho.yml
+   conda activate isca_env
+
+   cd src/extra/python
+   pip install -e .
+   ```
+3. Add Isca settings to `~/.bashrc` (modify paths as desired). After adding these settings you'll
+   need to source your ~/.bashrc file, or export the settings in the current shell as well.
+   ```bash
+   export GFDL_ENV=ncar-derecho
+   export GFDL_MKMF_TEMPLATE=ncar-derecho-intel
+   export GFDL_BASE=/glade/work/$USER/Isca
+   export GFDL_WORK=/glade/derecho/scratch/$USER/isca_work
+   export GFDL_DATA=/glade/derecho/scratch/$USER/isca_data
+   ```
+4. Build and Run a Test Case on a batch node
+   ```bash
+   cd $GFDL_BASE/exp/test_cases/held_suarez
+   qsub isca-test.sh
+   ```
+   Example batch script `isca-test.sh` (you'll need to add you account code to the `-A` argument)
+   ```bash
+   #!/bin/bash
+   #PBS -l walltime=00:30:00
+   #PBS -l select=1:ncpus=128:mpiprocs=128
+   #PBS -q main
+   #PBS -A [ACCOUNT CODE]
+   #PBS -N Isca-test
+   #PBS -k eod
+   #PBS -j oe
+   #PBS -o Isca-test.out
+
+   module --force purge
+   module load ncarenv/23.09 intel/2023.2.1 craype/2.7.31 cray-mpich/8.1.27 ncarcompilers/1.0.0 hdf5/1.12.2 netcdf/4.9.2 conda/latest
+   conda activate isca_env
+
+   cd $GFDL_BASE/exp/test_cases/held_suarez
+   python held_suarez_test_case.py
+   ```