diff --git a/.github/workflows/check_pyrokinetics.yml b/.github/workflows/check_pyrokinetics.yml new file mode 100644 index 0000000000..45b45276f5 --- /dev/null +++ b/.github/workflows/check_pyrokinetics.yml @@ -0,0 +1,62 @@ +# Run these tests automatically on Github on every push and pull request. +name: Check Pyrokinetics +on: [push, pull_request] + +# We always run in a bash shell +defaults: + run: + shell: bash + +# First build stella, and then perform pyrokinetics tests +jobs: + +#----------------------------------------------------------------------- +# Quick build +#----------------------------------------------------------------------- + + # Build stella to perform pyrokinetics tests + pyrokinetics-tests: + name: Check Pyrokinetics + runs-on: ubuntu-22.04 + env: + OMPI_MCA_rmaps_base_oversubscribe: yes + MPIRUN: mpiexec -np + STELLA_SYSTEM: gnu_ubuntu + + steps: + + # Check-out repository under $GITHUB_WORKSPACE + - name: Check out repository + uses: actions/checkout@v4 + + # Install dependencies + - name: Install dependencies + run: | + sudo apt update + sudo apt install -y gfortran make libfftw3-dev libnetcdf-dev libnetcdff-dev + sudo apt install -y netcdf-bin python3 python3-pip openmpi-bin libopenmpi-dev + + # Build stella executable + - name: Build stella + run: | + git submodule update --init --recursive + make -j 12 + chmod +x stella + + # Install dependencies + - name: Install dependencies and python virtual environment + run: | + sudo apt update + sudo apt install -y gfortran make libfftw3-dev libnetcdf-dev libnetcdff-dev + sudo apt install -y netcdf-bin python3 python3-pip openmpi-bin libopenmpi-dev + pip3 install --upgrade pip + pip3 install --user -r AUTOMATIC_TESTS/requirements.txt + pip3 install EXTERNALS/pyrokinetics/. + sed -i 's/nproc = 16/nproc = 1/g' AUTOMATIC_TESTS/config.ini + + # Perform pyrokinetics tests + - name: Pyrokinetics tests + run: make pyrokinetics-tests + + + diff --git a/.github/workflows/check_stella.yml b/.github/workflows/check_stella.yml index 26b0102598..583085eb5c 100644 --- a/.github/workflows/check_stella.yml +++ b/.github/workflows/check_stella.yml @@ -22,10 +22,11 @@ jobs: MPIRUN: mpiexec -np # Run the same set-up multiple times + # Note that macos-12 has been deprecated on GitHub in 2025 strategy: fail-fast: false matrix: - os: [macos-12, macos-13, macos-14, ubuntu-20.04, ubuntu-22.04, ubuntu-24.04] + os: [macos-13, macos-14, ubuntu-20.04, ubuntu-22.04, ubuntu-24.04] compiler: [Make, CMake] # Operating system @@ -45,10 +46,10 @@ jobs: echo "FFTW_LIB_DIR=/usr/local/Cellar/fftw/3.3.10_1/lib/" >> $GITHUB_ENV echo "Set FFTW_INC_DIR = /usr/local/include/" echo "FFTW_INC_DIR=/usr/local/include/" >> $GITHUB_ENV - echo "Set NETCDF_LIB_DIR = /usr/local/lib -L/usr/local/Cellar/netcdf-fortran/4.6.1/lib/" - echo "NETCDF_LIB_DIR=/usr/local/lib -L/usr/local/Cellar/netcdf-fortran/4.6.1/lib/" >> $GITHUB_ENV - echo "Set NETCDF_INC_DIR = /usr/local/Cellar/netcdf-fortran/4.6.1/include/" - echo "NETCDF_INC_DIR=/usr/local/Cellar/netcdf-fortran/4.6.1/include/" >> $GITHUB_ENV + echo "Set NETCDF_LIB_DIR = /usr/local/lib -L/usr/local/Cellar/netcdf-fortran/4.6.1_1/lib/" + echo "NETCDF_LIB_DIR=/usr/local/lib -L/usr/local/Cellar/netcdf-fortran/4.6.1_1/lib/" >> $GITHUB_ENV + echo "Set NETCDF_INC_DIR = /usr/local/Cellar/netcdf-fortran/4.6.1_1/include/" + echo "NETCDF_INC_DIR=/usr/local/Cellar/netcdf-fortran/4.6.1_1/include/" >> $GITHUB_ENV elif [ ${{ matrix.os }} == 'macos-14' ]; then echo "Set STELLA_SYSTEM = macos" echo "STELLA_SYSTEM=macos" >> $GITHUB_ENV @@ -56,10 +57,10 @@ jobs: echo "FFTW_LIB_DIR=/opt/homebrew/Cellar/fftw/3.3.10_1/lib/" >> $GITHUB_ENV echo "Set FFTW_INC_DIR = /opt/homebrew/include/" echo "FFTW_INC_DIR=/opt/homebrew/include/" >> $GITHUB_ENV - echo "Set NETCDF_LIB_DIR = /opt/homebrew/lib -L/opt/homebrew/Cellar/netcdf-fortran/4.6.1/lib/" - echo "NETCDF_LIB_DIR=/opt/homebrew/lib -L/opt/homebrew/Cellar/netcdf-fortran/4.6.1/lib/" >> $GITHUB_ENV - echo "Set NETCDF_INC_DIR = /opt/homebrew/Cellar/netcdf-fortran/4.6.1/include/" - echo "NETCDF_INC_DIR=/opt/homebrew/Cellar/netcdf-fortran/4.6.1/include/" >> $GITHUB_ENV + echo "Set NETCDF_LIB_DIR = /opt/homebrew/lib -L/opt/homebrew/Cellar/netcdf-fortran/4.6.1_1/lib/" + echo "NETCDF_LIB_DIR=/opt/homebrew/lib -L/opt/homebrew/Cellar/netcdf-fortran/4.6.1_1/lib/" >> $GITHUB_ENV + echo "Set NETCDF_INC_DIR = /opt/homebrew/Cellar/netcdf-fortran/4.6.1_1/include/" + echo "NETCDF_INC_DIR=/opt/homebrew/Cellar/netcdf-fortran/4.6.1_1/include/" >> $GITHUB_ENV elif ${{ contains(matrix.os, 'ubuntu') }}; then echo "Set STELLA_SYSTEM = gnu_ubuntu" echo "STELLA_SYSTEM=gnu_ubuntu" >> $GITHUB_ENV @@ -87,6 +88,22 @@ jobs: # Check-out repository under $GITHUB_WORKSPACE - name: Check-out repository uses: actions/checkout@v4 + + # Print system information + - name: System information + run: | + if ${{ contains(matrix.os, 'macos') }}; then + echo " "; echo "System information:"; echo "$(system_profiler SPHardwareDataType | sed 's/^/ /')" + echo " "; echo "Gfortran version:"; echo "$(gfortran --version | sed 's/^/ /')" + echo " "; echo "Clang version:"; echo "$(clang --version | sed 's/^/ /')" + make numerical-tests-system + elif ${{ contains(matrix.os, 'ubuntu') }}; then + echo " "; echo "System information:"; echo "$(cat /etc/*release | sed 's/^/ /')" + echo " "; echo "Number of cores:"; echo "$(lscpu | egrep 'Model name|Socket|Thread|NUMA|CPU\(s\)' | sed 's/^/ /')" + echo " "; echo "Gfortran version:"; echo "$(gfortran --version | sed 's/^/ /')" + echo " "; echo "Netcdf version:"; echo "$(nf-config --all | sed 's/^/ /')" + make numerical-tests-system + fi # Build stella executable - name: Build stella @@ -114,31 +131,29 @@ jobs: cmake . -B COMPILATION/build_cmake cmake --build COMPILATION/build_cmake -j 4 fi - - # Print system information - - name: System information - run: | - if ${{ contains(matrix.os, 'macos') }}; then - echo " "; echo "System information:"; echo "$(system_profiler SPHardwareDataType | sed 's/^/ /')" - echo " "; echo "Gfortran version:"; echo "$(gfortran --version | sed 's/^/ /')" - echo " "; echo "Clang version:"; echo "$(clang --version | sed 's/^/ /')" - make numerical-tests-system - elif ${{ contains(matrix.os, 'ubuntu') }}; then - echo " "; echo "System information:"; echo "$(cat /etc/*release | sed 's/^/ /')" - echo " "; echo "Number of cores:"; echo "$(lscpu | egrep 'Model name|Socket|Thread|NUMA|CPU\(s\)' | sed 's/^/ /')" - echo " "; echo "Gfortran version:"; echo "$(gfortran --version | sed 's/^/ /')" - echo " "; echo "Netcdf version:"; echo "$(nf-config --all | sed 's/^/ /')" - make numerical-tests-system - fi # Check $GITHUB_WORKSPACE - name: Check Github Workspace + if: success() || failure() run: | echo " "; echo "Running directory:"; echo " $(pwd)" echo " "; echo "Files in directory:"; echo "$(ls -la | sed 's/^/ /')" + # Location of packages + - name: Location of packages + if: success() || failure() + run: | + if [ ${{ matrix.compiler }} == 'CMake' ]; then + echo " "; echo "--------- DIRECTORIES OF PACKAGES ----------" + cat COMPILATION/build_cmake/CMakeCache.txt + fi + if [ ${{ matrix.compiler }} == 'Make' ]; then + echo " "; echo "Check the CMake compilation for the location of the packages." + fi + # Install python environment - name: Install python virtual environment + if: success() || failure() run: | if [ ${{ matrix.os }} == 'ubuntu-24.04' ] || [ ${{ matrix.os }} == 'macos-14' ]; then python3 -m venv AUTOMATIC_TESTS/venv @@ -187,7 +202,7 @@ jobs: if [ ${{ matrix.os }} == 'ubuntu-24.04' ] || [ ${{ matrix.os }} == 'macos-14' ]; then source AUTOMATIC_TESTS/venv/bin/activate; fi make numerical-tests-6 - - name: Python tests 7 - Electromagnetic effects" + - name: Python tests 7 - Electromagnetic effects if: success() || failure() run: | if [ ${{ matrix.os }} == 'ubuntu-24.04' ] || [ ${{ matrix.os }} == 'macos-14' ]; then source AUTOMATIC_TESTS/venv/bin/activate; fi @@ -225,7 +240,7 @@ jobs: git submodule update --init --recursive make -j 12 - # Stella is bugged when compiling without the falg debug = on + # Stella is bugged when compiling without the flag debug = on # So the python tests will break when compiling with CMake #cmake . -B COMPILATION/build_cmake #cmake --build COMPILATION/build_cmake -j 4 diff --git a/.gitignore b/.gitignore index 3a395c987e..a5c8f864f4 100644 --- a/.gitignore +++ b/.gitignore @@ -38,6 +38,8 @@ system_fortran.f90 # Stellapy !stellapy/data/stella +*.pickle +stellapy_figures/ # Fortran tests automated-fortran-tests @@ -76,6 +78,9 @@ share/python-wheels/ *.egg MANIFEST +# External modules +EXTERNALS/pyrokinetics/src/pyrokinetics/_version.py + # PyInstaller # Usually these files are written by a python script from a template # before PyInstaller builds the exe, so as to inject date/other infos into it. diff --git a/.gitmodules b/.gitmodules index 1dccd2ef3a..f64d447cbf 100644 --- a/.gitmodules +++ b/.gitmodules @@ -7,3 +7,6 @@ [submodule "externals/neasyf"] path = EXTERNALS/neasyf url = https://github.com/PlasmaFAIR/neasy-f.git +[submodule "EXTERNALS/pyrokinetics"] + path = EXTERNALS/pyrokinetics + url = https://github.com/pyro-kinetics/pyrokinetics diff --git a/AUTOMATIC_TESTS/Makefile b/AUTOMATIC_TESTS/Makefile index bbfba59808..3183154daa 100644 --- a/AUTOMATIC_TESTS/Makefile +++ b/AUTOMATIC_TESTS/Makefile @@ -53,6 +53,11 @@ numerical-tests-system: test-tools: check-tests-dependencies $(PROJECT_DIR)/stella @echo "Running: test stella tools" @python3 -m pytest -v -rF -W ignore::DeprecationWarning $(TEST_DIR)/test_tools/ + +# Run the automated stella tests (the -r flag shows the full stella output and -rf shows extra info about the failed outputs) +pyrokinetics-tests: check-tests-dependencies $(PROJECT_DIR)/stella + @echo "Running: automated stella tests for pyrokinetics" + @python3 -m pytest -v -rF -W ignore::DeprecationWarning $(TEST_DIR)/pyrokinetics_tests/ # Run the automated stella tests (the -r flag shows the full stella output) # -rA shows all outputs, -rf shows only failed outputs diff --git a/AUTOMATIC_TESTS/check_automated_stella_tests_requirements.py b/AUTOMATIC_TESTS/check_automated_stella_tests_requirements.py index a706954ec2..e733dcb91f 100644 --- a/AUTOMATIC_TESTS/check_automated_stella_tests_requirements.py +++ b/AUTOMATIC_TESTS/check_automated_stella_tests_requirements.py @@ -14,7 +14,10 @@ for line in contents: if line.startswith("#"): continue + if line.replace(' ','').replace('\n','').replace('\t','')=='': + continue module = line.split("=")[0] + if 'pyrokinetics' in line: module = 'pyrokinetics' requirements.append(module.replace(">", "").replace("~", "").replace("\n", "")) failed_modules = [] @@ -33,6 +36,7 @@ Run: make create-test-virtualenv source AUTOMATIC_TESTS/venv/bin/activate + pip install EXTERNALS/pyrokinetics/. to install and activate test dependencies """ ) diff --git a/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/empty.in b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/empty.in new file mode 100644 index 0000000000..db80510203 --- /dev/null +++ b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/empty.in @@ -0,0 +1,38 @@ + +! Smallest possible input file that runs without errors +! and that runs fast, hence we set (nkx,nky,nzed,nmu,nvpa) + +¶meters_numerical + nstep=10 +/ +&stella_diagnostics_knobs + nwrite = 1 +/ +&species_parameters_1 +/ +&kt_grids_knobs + grid_option='range' +/ +&kt_grids_range_parameters + naky = 10 + aky_min = 0.1 + aky_max = 1.0 + nakx = 1 + akx_min = 0.0 + akx_max = 0.0 +/ +&zgrid_parameters + nzed = 8 +/ +&vpamu_grids_parameters + nmu = 4 + nvgrid = 6 +/ +&millergeo_parameters + rhoc = 0.5 + shat = 0.796 + qinp = 1.4 + rmaj = 2.77778 + rgeo = 2.77778 + kappa = 1.0 +/ diff --git a/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC.in b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC.in new file mode 100644 index 0000000000..16f623608d --- /dev/null +++ b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC.in @@ -0,0 +1,97 @@ + +! Simple linear example using CBC + +¶meters_physics + adiabatic_option = 'iphi00=2' + full_flux_surface = .false. + include_apar = .false. + nonlinear = .false. + vnew_ref = 0.01 +/ +¶meters_numerical + delt = 0.05 + nstep = 10 + print_extra_info_to_terminal = .false. +/ +&stella_diagnostics_knobs + nsave = 10 + nwrite = 1 + save_for_restart = .false. + write_all = .true. +/ +&species_knobs + nspec = 2 + species_option = 'stella' +/ +&species_parameters_1 + dens = 1.0 + fprim = 1.0 + mass = 1.0 + temp = 1.0 + tprim = 3.0 + type = 'ion' + z = 1.0 +/ +&species_parameters_2 + dens = 1.0 + fprim = 1.0 + mass = 0.0005446 + temp = 1.0 + tprim = 3.0 + type = 'electron' + z = -1.0 +/ +&kt_grids_knobs + grid_option='range' +/ +&kt_grids_range_parameters + naky = 10 + aky_min = 0.1 + aky_max = 1.0 + nakx = 1 + akx_min = 0.0 + akx_max = 0.0 +/ +&zgrid_parameters + boundary_option = 'zero' + nperiod = 1 + nzed = 8 +/ +&vpamu_grids_parameters + nmu = 4 + nvgrid = 6 +/ +&init_g_knobs + ginit_option = 'noise' + phiinit = 0.01 +/ +&dissipation + hyper_dissipation = .true. +/ +&geo_knobs + geo_option = 'miller' +/ +&time_advance_knobs + explicit_option = 'rk2' +/ +&layouts_knobs + vms_layout = 'vms' + xyzs_layout = 'yxzs' +/ +&millergeo_parameters + nzed_local = 128 + rhoc = 0.5 + shat = 0.796 + qinp = 1.4 + rmaj = 2.77778 + rgeo = 2.77778 + shift = 0.0 + kappa = 1.0 + kapprim = 0.0 + tri = 0.0 + triprim = 0.0 + betaprim = 0.0 + d2qdr2 = 0.0 + d2psidr2 = 0.0 + betadbprim = 0.0 +/ diff --git a/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC_old.in b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC_old.in new file mode 100644 index 0000000000..746c5e468e --- /dev/null +++ b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC_old.in @@ -0,0 +1,96 @@ + +! Simple linear example using CBC + +&physics_flags + adiabatic_option = 'iphi00=2' + full_flux_surface = .false. + include_apar = .false. + nonlinear = .false. +/ +&species_knobs + nspec = 2 + species_option = 'stella' +/ +&species_parameters_1 + dens = 1.0 + fprim = 1.0 + mass = 1.0 + temp = 1.0 + tprim = 3.0 + type = 'ion' + z = 1.0 +/ +&species_parameters_2 + dens = 1.0 + fprim = 1.0 + mass = 0.0005446 + temp = 1.0 + tprim = 3.0 + type = 'electron' + z = -1.0 +/ +&kt_grids_knobs + grid_option='range' +/ +&kt_grids_range_parameters + naky = 10 + aky_min = 0.1 + aky_max = 1.0 + nakx = 1 + akx_min = 0.0 + akx_max = 0.0 +/ +&zgrid_parameters + boundary_option = 'zero' + nperiod = 1 + nzed = 8 +/ +&vpamu_grids_parameters + nmu = 4 + nvgrid = 6 +/ +&knobs + delt = 0.05 + nstep = 1000 + print_extra_info_to_terminal = .false. +/ +&stella_diagnostics_knobs + nsave = 100 + nwrite = 10 + save_for_restart = .false. + write_all = .true. +/ +&init_g_knobs + ginit_option = 'noise' + phiinit = 0.01 +/ +&dissipation + hyper_dissipation = .true. +/ +&geo_knobs + geo_option = 'miller' +/ +&time_advance_knobs + explicit_option = 'rk2' +/ +&layouts_knobs + vms_layout = 'vms' + xyzs_layout = 'yxzs' +/ +&millergeo_parameters + nzed_local = 128 + rhoc = 0.5 + shat = 0.796 + qinp = 1.4 + rmaj = 2.77778 + rgeo = 2.77778 + shift = 0.0 + kappa = 1.0 + kapprim = 0.0 + tri = 0.0 + triprim = 0.0 + betaprim = 0.0 + d2qdr2 = 0.0 + d2psidr2 = 0.0 + betadbprim = 0.0 +/ diff --git a/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC_quick.in b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC_quick.in new file mode 100644 index 0000000000..7f0ee39249 --- /dev/null +++ b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/miller_linear_CBC_quick.in @@ -0,0 +1,96 @@ + +! Simple linear example using CBC + +&physics_flags + adiabatic_option = 'iphi00=2' + full_flux_surface = .false. + include_apar = .false. + nonlinear = .false. +/ +&species_knobs + nspec = 2 + species_option = 'stella' +/ +&species_parameters_1 + dens = 1.0 + fprim = 1.0 + mass = 1.0 + temp = 1.0 + tprim = 3.0 + type = 'ion' + z = 1.0 +/ +&species_parameters_2 + dens = 1.0 + fprim = 1.0 + mass = 0.0005446 + temp = 1.0 + tprim = 3.0 + type = 'electron' + z = -1.0 +/ +&kt_grids_knobs + grid_option='range' +/ +&kt_grids_range_parameters + naky = 10 + aky_min = 0.1 + aky_max = 1.0 + nakx = 1 + akx_min = 0.0 + akx_max = 0.0 +/ +&zgrid_parameters + boundary_option = 'zero' + nperiod = 1 + nzed = 8 +/ +&vpamu_grids_parameters + nmu = 4 + nvgrid = 6 +/ +&knobs + delt = 0.05 + nstep = 10 + print_extra_info_to_terminal = .false. +/ +&stella_diagnostics_knobs + nsave = 10 + nwrite = 1 + save_for_restart = .false. + write_all = .true. +/ +&init_g_knobs + ginit_option = 'noise' + phiinit = 0.01 +/ +&dissipation + hyper_dissipation = .true. +/ +&geo_knobs + geo_option = 'miller' +/ +&time_advance_knobs + explicit_option = 'rk2' +/ +&layouts_knobs + vms_layout = 'vms' + xyzs_layout = 'yxzs' +/ +&millergeo_parameters + nzed_local = 128 + rhoc = 0.5 + shat = 0.796 + qinp = 1.4 + rmaj = 2.77778 + rgeo = 2.77778 + shift = 0.0 + kappa = 1.0 + kapprim = 0.0 + tri = 0.0 + triprim = 0.0 + betaprim = 0.0 + d2qdr2 = 0.0 + d2psidr2 = 0.0 + betadbprim = 0.0 +/ diff --git a/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1a_whether_stella_runs.py b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1a_whether_stella_runs.py new file mode 100755 index 0000000000..4fbb2508df --- /dev/null +++ b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1a_whether_stella_runs.py @@ -0,0 +1,131 @@ +################################################################################ +# Check whether pyrokinetics can plot stella output # +################################################################################ + +# Python modules +import os, sys +import pathlib +import numpy as np +import xarray as xr + +# Package to run stella +module_path = str(pathlib.Path(__file__).parent.parent.parent / 'run_local_stella_simulation.py') +with open(module_path, 'r') as file: exec(file.read()) + +# Global variables +input_filename = 'miller_linear_CBC.in' +local_stella_run_directory = 'Not/Run/Yet' + +#------------------------------------------------------------------------------- +# Run local stella simulation # +#------------------------------------------------------------------------------- +def test_whether_we_can_run_a_local_stella_simulation(tmp_path): + '''Run a local stella simulation in a temporary folder .''' + + # Save the temporary folder as a global variable so the + # other tests can access the output files from the local stella run. + global local_stella_run_directory + local_stella_run_directory = tmp_path + + # Run stella inside of based on + run_local_stella_simulation(input_filename, tmp_path) + print('\n --> Successfully ran a local stella simulation.') + return + +#------------------------------------------------------------------------------- +# Check whether output files are present # +#------------------------------------------------------------------------------- +def test_whether_all_output_files_are_gerenated_when_running_stella(error=False): + '''To ensure that stella ran correctly, check that all output files are generated.''' + + # Gather the output files generated during the local stella run inside + local_files = os.listdir(local_stella_run_directory) + + # Create a list of the output files we expect when stella has been run + stem = input_filename.replace('.in','') + expected_files = ['in', 'out.nc', 'geometry', 'fluxes', 'omega', 'out', 'final_fields', 'species.input', 'error'] + expected_files = [stem+'.'+extension for extension in expected_files] + + # Check whether all these output files are present + for expected_file in expected_files: + if not (expected_file in local_files): + print(f'ERROR: The "{expected_file}" output file was not generated when running stella.'); error = True + + # The module will check whether all statements are true, + # if it runs into a statement which is false, the test will be labeled as + # "Failed" and the string in the second argument of the statement + # will be printed to the command prompt as "AssertionError: " + assert (not error), f'Some output files were not generated when running stella.' + + # The test will stop as soon as an error was triggered, hence we + # will only reach this final line of code if the test ran successfully + print(f' --> All the expected files (.in, .geometry, .out.nc, .fluxes, .omega, ...) are generated.') + return + +#------------------------------------------------------------------------------- +# Check whether all quantities are present in the netcdf file # +#------------------------------------------------------------------------------- +def test_whether_correct_quantities_are_present_in_netcdf_file(error=False): + '''Check whether the correct quantities are present in the netcdf output file.''' + + # Find the netcdf output file which was generated during our local stella run + local_netcdf_file = local_stella_run_directory / input_filename.replace('.in', '.out.nc') + + # Open the netcdf file + with xr.open_dataset(local_netcdf_file) as local_netcdf: + + # Check whether all the dimensions are present in the netcdf file + expected_keys = ['kx', 'ky', 'tube', 'zed', 'alpha', 'vpa', 'mu', 'species', 't', 'char10', 'char200', 'ri'] + for key in expected_keys: + if (key not in local_netcdf): print(f'ERROR: The quantity {key} could not be found in the netcdf file.'); error = True + if not error: print(f' --> The netcdf file contains the following dimensions: {expected_keys}.') + + # Check whether all the species information is present in the netcdf file + expected_keys = ['charge', 'mass', 'dens', 'temp', 'tprim', 'fprim', 'vnew', 'type_of_species'] + for key in expected_keys: + if (key not in local_netcdf): print(f'ERROR: The quantity {key} could not be found in the netcdf file.'); error = True + if not error: print(f' --> The netcdf file contains the following species information: {expected_keys}.') + + # Check whether all the geometry data is present in the netcdf file + expected_keys = ['bmag', 'b_dot_grad_z', 'gradpar', 'gbdrift', 'gbdrift0', 'cvdrift', 'cvdrift0', 'kperp2', \ + 'gds2', 'gds21', 'gds22', 'grho', 'jacob', 'djacdrho', 'beta', 'q', 'shat', 'd2qdr2', 'drhodpsi', 'd2psidr2', 'jtwist'] + for key in expected_keys: + if (key not in local_netcdf): print(f'ERROR: The quantity {key} could not be found in the netcdf file.'); error = True + if not error: print(f' --> The netcdf file contains the following geometry data: {expected_keys}.') + + # Check whether all the diagnostics data is present in the netcdf file + dist_extensions = ['_vs_vpamus', '_vs_zvpas', '_vs_zmus', '_vs_zvpamus'] + expected_keys = ['t', 'omega', 'phi2', 'apar2', 'bpar2', 'omega']; new_keys = True + expected_keys += [i+j for i in ['pflux', 'qflux', 'vflux'] for j in ['_vs_s', '_vs_kxkyzs']] + expected_keys += [i+j for i in ['g2', 'h2', 'f2', 'g2nozonal', 'h2nozonal', 'f2nozonal'] for j in dist_extensions] + expected_keys += ['g2_vs_zkykxs', 'h2_vs_zkykxs', 'f2_vs_zkykxs'] + for key in expected_keys: + if (key not in local_netcdf): + print(f'ERROR: The quantity {key} could not be found in the netcdf file.'); new_keys = False + + # Try old stella names + if new_keys==False: + print('--------------------------------------------------') + print(' The new stella keys werent found, try old keys.') + print('--------------------------------------------------') + expected_keys = ['t', 'omega', 'phi2', 'apar2', 'bpar2', 'pflx', 'vflx', 'phi_vs_t', 'phi2_vs_kxky', \ + 'pflx_vs_kxky', 'vflx_vs_kxky', 'qflx_vs_kxky', 'pflux_x', 'vflux_x', 'qflux_x', \ + 'dens_x', 'upar_x', 'temp_x', 'pflx_kxky', 'vflx_kxky', 'qflx_kxky', 'gvmus', 'gzvs'] + for key in expected_keys: + if (key not in local_netcdf): + print(f'ERROR: The quantity {key} could not be found in the netcdf file.'); error = True + + if not error: print(f' --> The netcdf file contains the following diagnostics data: {expected_keys}.') + + # The module will check whether all statements are true, + # if it runs into a statement which is false, the test will be labeled as + # "Failed" and the string in the second argument of the statement + # will be printed to the command prompt as "AssertionError: " + assert (not error), f'Some quantities were not found in the netcdf file.' + + # The test will stop as soon as an error was triggered, hence we + # will only reach this final line of code if the test ran successfully + print(f' --> The netcdf file contains all the expected data.') + + return + diff --git a/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1b_whether_pyrokinetics_loads.py b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1b_whether_pyrokinetics_loads.py new file mode 100755 index 0000000000..5262d76077 --- /dev/null +++ b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1b_whether_pyrokinetics_loads.py @@ -0,0 +1,40 @@ +################################################################################ +# Check whether pyrokinetics can plot stella output # +################################################################################ + +# Python modules +import os, sys +import pathlib +import numpy as np +import xarray as xr + +# Package to run stella +module_path = str(pathlib.Path(__file__).parent.parent.parent / 'run_local_stella_simulation.py') +with open(module_path, 'r') as file: exec(file.read()) + +# Pyrokinetics package +from pyrokinetics import Pyro + +# Global variables +input_filename = 'miller_linear_CBC.in' +local_stella_run_directory = 'Not/Run/Yet' + +#------------------------------------------------------------------------------- +# Run local stella simulation # +#------------------------------------------------------------------------------- +def test_whether_we_can_load_pyrokinetics(tmp_path): + '''Run a local stella simulation in a temporary folder .''' + + # Save the temporary folder as a global variable so the + # other tests can access the output files from the local stella run. + global local_stella_run_directory + local_stella_run_directory = tmp_path + + # Run stella inside of based on + run_local_stella_simulation(input_filename, tmp_path) + + # Load the pyro data + local_input_file = local_stella_run_directory / input_filename + pyro = Pyro(gk_file=local_input_file, gk_code="STELLA") + print('\n --> Successfully loaded pyrokinetics.') + return diff --git a/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1c_whether_pyrokinetics_loads_for_empty_input.py b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1c_whether_pyrokinetics_loads_for_empty_input.py new file mode 100755 index 0000000000..af8f211742 --- /dev/null +++ b/AUTOMATIC_TESTS/pyrokinetics_tests/test_1_whether_pyrokinetics_loads/test_1c_whether_pyrokinetics_loads_for_empty_input.py @@ -0,0 +1,41 @@ +################################################################################ +# Check whether pyrokinetics can plot stella output # +################################################################################ + +# Python modules +import os, sys +import pathlib +import numpy as np +import xarray as xr + +# Package to run stella +module_path = str(pathlib.Path(__file__).parent.parent.parent / 'run_local_stella_simulation.py') +with open(module_path, 'r') as file: exec(file.read()) + +# Pyrokinetics package +from pyrokinetics import Pyro + +# Global variables +input_filename = 'empty.in' +local_stella_run_directory = 'Not/Run/Yet' + +#------------------------------------------------------------------------------- +# Run local stella simulation # +#------------------------------------------------------------------------------- +def TODO_test_whether_we_can_load_pyrokinetics(tmp_path): + '''Run a local stella simulation in a temporary folder .''' + + # Save the temporary folder as a global variable so the + # other tests can access the output files from the local stella run. + global local_stella_run_directory + local_stella_run_directory = tmp_path + + # Run stella inside of based on + run_local_stella_simulation(input_filename, tmp_path) + + # Load the pyro data + local_input_file = local_stella_run_directory / input_filename + pyro = Pyro(gk_file=local_input_file, gk_code="STELLA") + print('\n --> Successfully loaded pyrokinetics.') + return + diff --git a/COMPILATION/CMakeLists.txt b/COMPILATION/CMakeLists.txt index a9ca6fa89a..dc586e6217 100644 --- a/COMPILATION/CMakeLists.txt +++ b/COMPILATION/CMakeLists.txt @@ -8,7 +8,10 @@ project(stella VERSION 0.3 LANGUAGES Fortran) -set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/COMPILATION/cmake" ${CMAKE_MODULE_PATH}) +# Cmake files +set(CMAKE_MODULE_PATH +"${CMAKE_SOURCE_DIR}/COMPILATION/cmake" +${CMAKE_MODULE_PATH}) # Sets default build type to RelWithDebInfo include(BuildType) @@ -42,7 +45,7 @@ option(STELLA_UPDATE_GIT_SUBMODULES "Check submodules are up-to-date during buil # Sources that don't need preprocessing set(STELLA_SOURCES_f90 - ../EXTERNALS/utils/define.inc + ../STELLA_CODE/utils/define.inc ../STELLA_CODE/calculations/calculations_kxky.f90 ../STELLA_CODE/calculations/dist_redistribute.f90 ../STELLA_CODE/calculations/finite_differences.f90 @@ -157,7 +160,7 @@ add_executable(stella target_link_libraries(stella PRIVATE libstella) # The include.inc file is located in EXTERNALS/utils/ -include_directories("${CMAKE_SOURCE_DIR}/EXTERNALS/utils") +include_directories("${CMAKE_SOURCE_DIR}/STELLA_CODE/utils") # When target `stella` is built, a symlink will be created set(CMAKE_EXPORT_COMPILE_COMMANDS ON) @@ -269,6 +272,14 @@ target_compile_definitions(libstella PRIVATE $<$:FCOMPILER=_INTEL_> $<$:FCOMPILER=_CRAY_> ) + + +# Find hdf5 packages (their CMake file needs the C language) +# These lines are only needed for Mac systems on Github since January 2025 +# For some reason CMake could not find the hdf5 libraries anymore after a Github update +ENABLE_LANGUAGE(C) +find_package(HDF5 REQUIRED) +target_link_libraries(libstella PUBLIC ${HDF5_LIBRARIES}) ############################################################ # Add some extra flags for Debug configs @@ -289,7 +300,7 @@ target_compile_options(libstella PRIVATE # Internal libraries: and ############################################################ -add_subdirectory(../EXTERNALS/utils ${CMAKE_CURRENT_BINARY_DIR}/EXTERNALS/utils) +add_subdirectory(../STELLA_CODE/utils ${CMAKE_CURRENT_BINARY_DIR}/STELLA_CODE/utils) add_subdirectory(../EXTERNALS/mini_libstell ${CMAKE_CURRENT_BINARY_DIR}/EXTERNALS/mini_libstell) target_link_libraries(libstella PUBLIC mini_libstell stella_utils) diff --git a/COMPILATION/LoadModules/README.md b/COMPILATION/LoadModules/README.md new file mode 100644 index 0000000000..442fb38a67 --- /dev/null +++ b/COMPILATION/LoadModules/README.md @@ -0,0 +1,60 @@ +# stella compilation: Load modules + +## Download stella + +First, download stella from the GitHub repository: +>> git clone https://github.com/stellaGK/stella.git +>> git submodule update --init --recursive + +## Load the system dependent modules + +Each system has its own modules installed, therefore a load_modules.SYSTEM file +has been written for each specific system. Source the load_modules.SYSTEM file: + +>> source COMPILATION/LoadModules/load_modules.marenostrum +>> source COMPILATION/LoadModules/load_modules.xula + +## Compile with CMake + +>> cmake . -B COMPILATION/build_cmake +>> cmake --build COMPILATION/build_cmake + + +-- Found MPI_Fortran: /mnt/lustre/home/spack/spack/opt/spack/linux-rocky8-icelake/oneapi-2023.1.0/intel-oneapi-mpi-2021.9.0-alz6lstmpi2dfpkk3trayc2xqpj54hi6/lib/libmpifort.so (found version "3.1") + + + + +# Set-up system dependent modules + +## Module availability + +To check the available modules: +>> module avail intel +>> module avail mpi +>> module avail netcdf +>> module avail hdf5 + +## Module location + +To check the location of a loaded module: +>> module show intel +>> module show mpi +>> module show netcdf +>> module show hdf5 + +## Local directory without GitHub link + +If the stella directory is not linked to GitHub, the git_version library will +most likely refuse to compile, to resolve this issue do: +>> git init + + +## Check if the correct modules are loaded with CMake + +When setting up the modules, it is the easiest to use CMake to check the compilation. +>> cmake . -B COMPILATION/build_cmake + + + + diff --git a/COMPILATION/LoadModules/load_modules.dirac b/COMPILATION/LoadModules/load_modules.dirac new file mode 100755 index 0000000000..9a81b0b0b5 --- /dev/null +++ b/COMPILATION/LoadModules/load_modules.dirac @@ -0,0 +1,19 @@ +#!/bin/sh + +# Unload the preloaded modules +module purge + +# Load dirac modules needed for stella +module load intel/mkl/2020.2;\ +module load intel/impi/2020.2/intel;\ +module load openblas/0.2.15;\ +module load netlib-scalapack-2.0.2-intel-17.0.4-wwvkcj6;\ +module load szip-2.1.1-gcc-5.4.0-6vkwvdj;\ +module load zlib/1.2.11;\ +module load hdf5-1.10.4-intel-17.0.4-swn7n43;\ +module load netcdf-4.4.1.1-intel-17.0.4-zysrbqw;\ +module load netcdf-fortran-4.4.4-intel-17.0.4-cesnirf;\ +module load fftw-3.3.6-pl2-intel-17.0.4-qssvkuw;\ + +export STELLA_SYSTEM="dirac" +export MAKEFLAGS="-IMakefiles" diff --git a/COMPILATION/LoadModules/load_modules.marconi b/COMPILATION/LoadModules/load_modules.marconi new file mode 100755 index 0000000000..36839d7cb3 --- /dev/null +++ b/COMPILATION/LoadModules/load_modules.marconi @@ -0,0 +1,27 @@ +#!/bin/sh + +# Unload the preloaded modules +module purge + +# Load Marconi modules needed for stella +module load env-skl +module load intel/pe-xe-2018--binary +module load intelmpi/2018--binary +module load szip/2.1--gnu--6.1.0 +module load zlib/1.2.8--gnu--6.1.0 +module load hdf5/1.10.4--intel--pe-xe-2018--binary +module load netcdf/4.6.1--intel--pe-xe-2018--binary +module load netcdff/4.4.4--intel--pe-xe-2018--binary +module load fftw/3.3.7--intelmpi--2018--binary +module load mkl/2018--binary +module load scalapack +module load blas +module load git + +# Set some directories for the make file of Marconi +export NETCDF_LIB_DIR=/cineca/prod/opt/libraries/netcdff/4.4.4/intel--pe-xe-2018--binary/lib +export NETCDF_INC_DIR=/cineca/prod/opt/libraries/netcdff/4.4.4/intel--pe-xe-2018--binary/include +export FFTW_LIB_DIR=$FFTW_DIR/lib +export FFTW_INC_DIR=$FFTW_INC +export STELLA_SYSTEM="marconi" +export MAKEFLAGS="-IMakefiles" diff --git a/COMPILATION/LoadModules/load_modules.marenostrum b/COMPILATION/LoadModules/load_modules.marenostrum new file mode 100755 index 0000000000..78b2041c20 --- /dev/null +++ b/COMPILATION/LoadModules/load_modules.marenostrum @@ -0,0 +1,33 @@ +#!/bin/sh + +# Unload the preloaded modules +module purge + +# Load Marenostrum modules needed for stella (option 1) +module load oneapi +module load ucx/1.15.0 +module load fftw/3.3.10 +module load hdf5/1.14.1-2 +module load pnetcdf/1.12.3 +module load netcdf/2023-06-14 +module load lapack/3.11-gcc +module load petsc/3.20.5 + +# Load Marenostrum modules needed for stella (option 2) +#module load openmpi/4.1.5-gcc +#module load hdf5/1.14.1-2-gcc-openmpi +#module load pnetcdf/1.12.3-gcc-openmpi +#module load netcdf/c-4.9.2_fortran-4.6.1_cxx4-4.3.1_hdf5-1.14.1-2_pnetcdf-1.12.3-gcc-openmpi +#module load gcc/13.2.0 +#module load fftw/3.3.10-gcc-ompi +#module load hdf5/1.14.1-2-gcc-openmpi +#module load intel-advisor/2023.2.0 +#module load cmake + +# Set some directories for the make file of marenostrum +export NETCDF_INC_DIR=$NETCDF_INC +export NETCDF_LIB_DIR=$NETCDF_LIB +export FFTW_INC_DIR=-I$FFTW_INCL +export FFTW_LIB_DIR=$FFTW_DIR/lib +export STELLA_SYSTEM="marenostrum" +export MAKEFLAGS="-IMakefiles" diff --git a/COMPILATION/LoadModules/load_modules.stellar b/COMPILATION/LoadModules/load_modules.stellar new file mode 100755 index 0000000000..b1ae4292ad --- /dev/null +++ b/COMPILATION/LoadModules/load_modules.stellar @@ -0,0 +1,18 @@ +#!/bin/sh + +# Unload the preloaded modules +module purge + +# Load stellar modules needed for stella +module load intel/2021.1.2 +module load openmpi/intel-2021.1/4.1.2 +module load fftw/intel-2021.1/openmpi-4.1.0/3.3.9 +module load hdf5/intel-2021.1/openmpi-4.1.0/1.10.6 +module load netcdf/intel-2021.1/hdf5-1.10.6/openmpi-4.1.0/4.7.4 +module load anaconda3/2020.11 +module load scalapack/openmpi-4.1.0/2.0.2 +module load cudatoolkit/11.4 +module load gsl/2.6 + +export STELLA_SYSTEM="stellar" +export MAKEFLAGS="-IMakefiles" diff --git a/COMPILATION/LoadModules/load_modules.xula b/COMPILATION/LoadModules/load_modules.xula new file mode 100755 index 0000000000..a29deb4881 --- /dev/null +++ b/COMPILATION/LoadModules/load_modules.xula @@ -0,0 +1,37 @@ +# Clean modules +module purge + +# Set environment variables +export STELLA_SYSTEM='xula' +export MAKEFLAGS=-IMakefiles + +# Load Xula modules +module load gcc-8.5.0-gcc-8.5.0-okhf4dl +module load openmpi-4.1.5-gcc-8.5.0-wc244g5 +module load fftw-3.3.10-gcc-8.5.0-gyw6vjk +module load hdf5-1.14.1-2-gcc-8.5.0-nmh7bhg +module load netcdf-c-4.9.2-gcc-8.5.0-tm5mqc4 +module load netcdf-fortran-4.6.0-gcc-8.5.0-5t42x57 +module load parallel-netcdf-1.12.3-gcc-8.5.0-jjzb3pe +module load netlib-scalapack-2.2.0-gcc-8.5.0-jpwc63q +module load netlib-lapack-3.11.0-gcc-8.5.0-af4h4co + +# Compile stella with CMake +module load cmake-3.26.3-gcc-9.4.0-6t6wfdo + +# Numerical tests need python +module load python-3.10.10-gcc-8.5.0-ze5tho3 +module load py-pip-23.0-gcc-8.5.0-myj46az + +# Check loaded modules +echo " " +echo "GCC version:" +gcc --version +echo "Python version:" +python --version +echo " " + +# Set some directories for the make file of xula +export NETCDF_HOME=/mnt/lustre/home/spack/spack/opt/spack/linux-rocky8-icelake/gcc-8.5.0/netcdf-c-4.9.2-tm5mqc44n3zsrs4sildwyrv2ynjxfnlh/ +export FFT_HOME=/mnt/lustre/home/spack/spack/opt/spack/linux-rocky8-icelake/gcc-8.5.0/fftw-3.3.10-gyw6vjk5lqaocgtvd42czbeai4qdiecq/ +export LAPACK_HOME=/mnt/lustre/home/spack/spack/opt/spack/linux-rocky8-icelake/gcc-8.5.0/netlib-lapack-3.11.0-af4h4cocidqmbtafrjzzqwky3wjlswmm/ diff --git a/COMPILATION/Makefile.compilerflags b/COMPILATION/Makefile.compilerflags index 29e27bebc7..4e1f93ad09 100644 --- a/COMPILATION/Makefile.compilerflags +++ b/COMPILATION/Makefile.compilerflags @@ -10,7 +10,7 @@ # The "?=" sets a variable if it does not already have a value. #################################################################### -DEBUG ?= in # Turns on debug mode (bin) +DEBUG ?= # Turns on debug mode (bin) TEST ?= # Turns on test mode (bin) OPT ?= on # Optimization (on, aggressive, undefined) STATIC ?= # Prevents linking with shared libraries (bin) @@ -25,37 +25,42 @@ USE_SFINCS ?= # Link to sfincs library at compilation USE_LAPACK ?= on # Use LAPACK, needed for test particle collisions HAS_ISO_C_BINDING ?= on # Does the compiler support the iso_c_binding features of Fortran? (needed for local parallel LU decomposition) -# Which FFT library to use (fftw,fftw3,mkl_fftw,undefined) +# Which FFT library to use (fftw, fftw3, mkl_fftw, undefined) # We can't have any spaces behind 'fftw3' so we can't put the comment behind it USE_FFT ?= fftw3 +# The compiler either uses the "-J" flag or the "-module" flag to +# denote the directory where the *.mod files can be found +MODULE_FLAG = -J + # The following variables can be set in platform-dependent Makefile's # For example, inside stella/Makefiles/Makefile.marconi +MAKE = make +CPP = cpp +CPPFLAGS = -P -traditional +FC = f90 +MPIFC ?= mpif90 +H5FC ?= h5fc +H5FC_par ?= h5pfc +F90FLAGS = +F90OPTFLAGS = +CC = cc +MPICC ?= mpicc +H5CC ?= h5cc +H5CC_par ?= h5pcc +CFLAGS = +COPTFLAGS = +LD = $(FC) +LDFLAGS = $(F90FLAGS) +ARCH = ar +ARCHFLAGS = cr +RANLIB = ranlib +AWK = awk +PERL = perl +FORD ?= ford -MAKE = make -CPP = cpp -CPPFLAGS = -P -traditional -FC = f90 -MPIFC ?= mpif90 -H5FC ?= h5fc -H5FC_par ?= h5pfc -F90FLAGS = -F90OPTFLAGS = -CC = cc -MPICC ?= mpicc -H5CC ?= h5cc -H5CC_par ?= h5pcc -CFLAGS = -COPTFLAGS = -LD = $(FC) -LDFLAGS = $(F90FLAGS) -ARCH = ar -ARCHFLAGS = cr -RANLIB = ranlib -AWK = awk -PERL = perl -FORD ?= ford - +# The following variables can be set in platform-dependent Makefile's +# For example, inside stella/Makefiles/Makefile.marconi MPI_INC ?= MPI_LIB ?= FFT_INC ?= @@ -71,6 +76,8 @@ SFINCS_INC ?= PETSC_LIB ?= PETSC_INC ?= LIBSTELL_LIB ?= +LAPACK_LIB ?= +LAPACK_INC ?= #################################################################### # PLATFORM DEPENDENCE # @@ -164,11 +171,13 @@ endif ifdef USE_NETCDF ifeq ($(NETCDF_LIB),) NETCDF_LIB = -lnetcdf - endif + endif CPPFLAGS += -DNETCDF endif ifdef USE_LAPACK - LAPACK_LIB ?= -llapack + ifeq ($(LAPACK_LIB),) + LAPACK_LIB = -llapack + endif CPPFLAGS += -DLAPACK endif ifdef USE_HDF5 @@ -244,7 +253,8 @@ export NETCDF_LIB export COMPILATION_DIR export FC -# Export some variable, so they become available to compile the utils scripts +# Export some variables, so they become available to the other make files +export MODULE_FLAG export INC_FLAGS export CPPFLAGS export CPP diff --git a/COMPILATION/Makefile.externals b/COMPILATION/Makefile.externals index 76384d6820..4650510cb1 100644 --- a/COMPILATION/Makefile.externals +++ b/COMPILATION/Makefile.externals @@ -73,9 +73,9 @@ # Define the directories where the external libraries are located # Export UTILS_DIR and MINILIBSTELL_DIR because they're used in their make files export MINILIBSTELL_DIR := $(EXTERNALS_DIR)/mini_libstell -export UTILS_DIR := $(EXTERNALS_DIR)/utils export GIT_VERSION_DIR := $(EXTERNALS_DIR)/git_version/src export NEASYF_DIR := $(EXTERNALS_DIR)/neasyf/src +export UTILS_DIR := $(STELLA_DIR)/utils # Check directories .PHONY: print-directories-externals diff --git a/COMPILATION/Makefile.externals.git_version b/COMPILATION/Makefile.externals.git_version index e4866be941..8b6f01333f 100644 --- a/COMPILATION/Makefile.externals.git_version +++ b/COMPILATION/Makefile.externals.git_version @@ -22,7 +22,16 @@ $(GIT_VERSION_DIR)/git_version.f90: @echo " " # Now that we made sure that the submodule exists, include its makefile +GIR_PROJECT := $(shell if [ -d $(PROJECT_DIR)/.git ]; then echo "ok"; fi) +ifeq ($(GIR_PROJECT),) +$(info ) +$(info WARNING: The .git folder does not exist.) +$(info To use the latest external projects, please link the code to Github.) +$(info ) +endif +ifeq ($(GIR_PROJECT),ok) sinclude $(GIT_VERSION_DIR)/../Makefile +endif # The fortdep script doesn't know about Fortran submodules, # so we need to write the dependencies ourselves: @@ -37,10 +46,10 @@ $(FPP)/git_version_impl.f90: $(GIT_VERSION_DIR)/git_version_impl.F90 | $(GIT_VER # Create *.o files from *.f90 files using the Fortran f90 (FC) compiler $(OBJ)/git_version.o: $(GIT_VERSION_DIR)/git_version.f90 @echo " (git) *.f90 to *.o: $(notdir $<)" - @$(FC) $(F90FLAGS) $(INC_FLAGS) -I $(MOD) -J $(MOD) -o $@ -c $< + @$(FC) $(F90FLAGS) $(INC_FLAGS) -I $(MOD) $(MODULE_FLAG) $(MOD) -o $@ -c $< $(OBJ)/git_version_impl.o: $(FPP)/git_version_impl.f90 @echo " (git) *.f90 to *.o: $(notdir $<)" - @$(FC) $(F90FLAGS) $(INC_FLAGS) -I $(MOD) -J $(MOD) -o $@ -c $< + @$(FC) $(F90FLAGS) $(INC_FLAGS) -I $(MOD) $(MODULE_FLAG) $(MOD) -o $@ -c $< # Extra commands so we can compile mini_libstell separately through # >> make mini_libstell_clean; make mini_libstell diff --git a/COMPILATION/Makefile.externals.neasyf b/COMPILATION/Makefile.externals.neasyf index 853a33cb9e..886b94feea 100644 --- a/COMPILATION/Makefile.externals.neasyf +++ b/COMPILATION/Makefile.externals.neasyf @@ -14,7 +14,7 @@ $(NEASYF_DIR)/neasyf.f90: # Create *.o files from *.f90 files using the Fortran f90 (FC) compiler $(OBJ)/neasyf.o: $(NEASYF_DIR)/neasyf.f90 @echo " (neasyf) *.f90 to *.o: $(notdir $<)" - @$(FC) $(F90FLAGS) $(INC_FLAGS) -I $(MOD) -J $(MOD) -o $@ -c $< + @$(FC) $(F90FLAGS) $(INC_FLAGS) -I $(MOD) $(MODULE_FLAG) $(MOD) -o $@ -c $< # If make is killed or interrupted during the execution of their recipes, # the targets in ".PRECIOUS" are not deleted. diff --git a/COMPILATION/Makefile.stella b/COMPILATION/Makefile.stella index f78ea69616..f0333db289 100644 --- a/COMPILATION/Makefile.stella +++ b/COMPILATION/Makefile.stella @@ -232,7 +232,7 @@ setup-stella: ensure-that-all-f90-files-exist # The -I $(MOD) flag makes sure that the compiler looks for the *.mod files in the $(MOD) directory # The -J $(MOD) flag makes sure that the compiler writes the *.mod files to the $(MOD) directory -MOD_FLAGS_STELLA := -I $(MOD) -I $(UTILS_MOD) -I $(MINILIBSTELL_MOD) -J $(MOD) +MOD_FLAGS_STELLA := -I $(MOD) -I $(UTILS_MOD) -I $(MINILIBSTELL_MOD) $(MODULE_FLAG) $(MOD) # Build object files '*.o' from '*.f90' files using the Fortran f90 compiler $(OBJ)/%.o: $(STELLA_DIR)/%.f90 $(external_modules) | $(OBJ) $(MOD) @@ -242,7 +242,7 @@ $(OBJ)/%.o: $(FPP)/%.f90 $(external_modules) | $(OBJ) $(MOD) @echo " (stella) *.f90 to *.o: $(notdir $<)" @$(FC) $(F90FLAGS) $(INC_FLAGS) $(MOD_FLAGS_STELLA) -o $@ -c $< -$(OBJ)/%.o: $(CALCULATIONS)/%.f90 $(external_modules) | $(OBJ) $(MOD) +$(OBJ)/%.o: $(CALCULATIONS)/%.f90 $(external_modules) | $(OBJ) $(MOD) @echo " (stella) *.f90 to *.o: $(notdir $<)" @$(FC) $(F90FLAGS) $(INC_FLAGS) $(MOD_FLAGS_STELLA) -o $@ -c $< $(OBJ)/%.o: $(DIAGNOSTICS)/%.f90 $(external_modules) | $(OBJ) $(MOD) diff --git a/COMPILATION/Makefiles/Compilers/Makefile.gcc b/COMPILATION/Makefiles/Compilers/Makefile.gcc new file mode 100644 index 0000000000..bcfbf0c245 --- /dev/null +++ b/COMPILATION/Makefiles/Compilers/Makefile.gcc @@ -0,0 +1,3 @@ +# Compiler: GNU gfortran/gcc + +include $(COMPILATION_DIR)/Makefiles/Compilers/Makefile.gnu-gfortran diff --git a/COMPILATION/Makefiles/Makefile.marenostrum b/COMPILATION/Makefiles/Makefile.marenostrum new file mode 100644 index 0000000000..0f7f94fbef --- /dev/null +++ b/COMPILATION/Makefiles/Makefile.marenostrum @@ -0,0 +1,60 @@ +# Host: mn4 + +$(warning Processing Makefile.marenostrum) +helplocal: + # GK_SYSTEM = mn4 + # You are using Makefile.mn4 to build gs2 executables on bsc. + +define STANDARD_SYSTEM_CONFIGURATION + +export MAKEFLAGS='-j -IMakefiles';\ +export TESTEXEC='mpirun -N 48 -n 48'; +endef + +COMPILER=intel + +USE_FFT = fftw3 +USE_NETCDF = on + +# This line disables the automated checking +# of the intel version which is slow +DBLESIZEOPT = -double-size 128 + +include $(COMPILATION_DIR)/Makefiles/Compilers/Makefile.$(COMPILER) + +FC=mpiifort +CC=icc +MPIFC=mpiifort +MPICC=mpiicc + +ifeq ($(USE_FFT),fftw3) + FFT_INC = $(FFTW_ROOT)/include + FFT_DIR = $(FFTW_ROOT) + FFT_LIB = -lfftw3 $(FFTW_LDFLAGS) #-lfftw3_mpi + CPPFLAGS += -I $(FFT_INC) +endif + +USE_HDF5= + +PETSC_INC=$(PETSC_DIR)/include + +#Note the module system sets some env vars for us +#unfortunately some clash with values we use +ifdef USE_NETCDF + NETCDF_DIR=$(NETCDF) + NETCDF_INC= -I $(NETCDF_ROOT)/include/ + NETCDF_LIB= -L $(NETCDF_ROOT)/lib/ -lnetcdff -L$(NETCDF_HOME)/lib/ -lnetcdf +endif + +#MPI_INC=-I$(MPI_ROOT)/include64/ +#MPI_LIB=-lmpi + +$(warning USE_NETCDF=$(USE_NETCDF)) + +# The compiler either uses the "-J" flag or the "-module" flag to +# denote the directory where the *.mod files can be found +MODULE_FLAG = -module + +# Without this the mini_linstell gets issues with the netcdf routines (cdf_inquire) +F90FLAGS = -DNETCDF + diff --git a/COMPILATION/Makefiles/Makefile.stellar b/COMPILATION/Makefiles/Makefile.stellar new file mode 100644 index 0000000000..60bb06875a --- /dev/null +++ b/COMPILATION/Makefiles/Makefile.stellar @@ -0,0 +1,17 @@ + +USE_HDF5 = on +F90FLAGS = -DNETCDF + +COMPILER = intel +include $(COMPILATION_DIR)/Makefiles/Compilers/Makefile.$(COMPILER) + +FFT_INC = -I/usr/local/fftw/intel-2021.1/openmpi-4.1.0/3.3.9/include +FFT_LIB = -L/usr/local/fftw/intel-2021.1/openmpi-4.1.0/3.3.9/lib64 -lfftw3 +NETCDF_INC = -I/usr/local/netcdf/intel-2021.1/hdf5-1.10.6/openmpi-4.1.0/4.7.4/include +NETCDF_LIB = -L/usr/local/netcdf/intel-2021.1/hdf5-1.10.6/openmpi-4.1.0/4.7.4/lib64 -lnetcdf -lnetcdff +HDF5_INC = -I/usr/local/hdf5/intel-2021.1/openmpi-4.1.0/1.10.6/include +HDF5_LIB = -L/usr/local/hdf5/intel-2021.1/openmpi-4.1.0/1.10.6/lib64 + +# The compiler either uses the "-J" flag or the "-module" flag to +# denote the directory where the *.mod files can be found +MODULE_FLAG = -module diff --git a/COMPILATION/Makefiles/Makefile.xula b/COMPILATION/Makefiles/Makefile.xula index 1d7cd544a2..66f022613e 100644 --- a/COMPILATION/Makefiles/Makefile.xula +++ b/COMPILATION/Makefiles/Makefile.xula @@ -1,54 +1,44 @@ -# Host: Marconi +# Host: Xula helplocal: - # GK_SYSTEM = marconi - # You are using Makefile.marconi to build gs2 executables on MARCONI. - -COMPILER=intel -CHIP=skylake + # STELLA_SYSTEM = xula + # You are using Makefile.xula to build the stella executables on xula. +# Toggle options USE_FFT = fftw3 USE_NETCDF = on -# This line disables the automated checking -# of the intel version which is slow +# This line disables the automated checking of the intel version which is slow DBLESIZEOPT = -double-size 128 +# Use the GCC or GNU GFortran compiler +COMPILER=gnu-gfortran include $(COMPILATION_DIR)/Makefiles/Compilers/Makefile.$(COMPILER) -FC=ifort -CC=icc - -MPIFC=mpifort -MPICC=mpiicc -MPIFC=mpif90 -MPI_HOME=/mnt/lustre/ohpc/admin/spack/0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/openmpi-3.1.3-xnwkw7bcmpsrdymg77auoyudr2pr3mu5 -MPI_INC=-I$(MPI_HOME)/include/ MPI_LIB=-L$(MPI_HOME)/lib/ - -ifeq ($(USE_FFT),fftw3) - FFT_DIR=/mnt/lustre/ohpc/admin/spack/0.12.1/opt/spack/linux-centos7-x86_64/intel-19.0.5.281/fftw-3.3.8-ymonpurwnnwrjsw3zw4kh5d7brp2sbn6 - FFT_INC = -I$(FFT_DIR)/include/ - FFT_LIB = -lfftw3 -lfftw3_mpi -L$(FFT_DIR)/lib/ - CPPFLAGS += -I$(FFT_INC) -endif - -USE_HDF5= +# The NETCDF_HOME, FFT_HOME and LAPACK_HOME variables are set in the load_modules.xula file +# Here we tell the compiler where the libraries can be found +LAPACK_DIR=$(LAPACK_HOME) +LAPACK_INC= -I$(LAPACK_DIR)/include/ +LAPACK_LIB= -L$(LAPACK_DIR)/lib64/ -llapack + +ifeq ($(USE_FFT),fftw3) + FFT_DIR=$(FFT_HOME) + FFT_INC = -I$(FFT_DIR)/include/ + FFT_LIB = -lfftw3 -lfftw3_mpi -L$(FFT_DIR)/lib/ + CPPFLAGS += -I$(FFT_INC) +endif -#Note the module system sets some env vars for us -#unfortunately some clash with values we use ifdef USE_NETCDF NETCDF_DIR=$(NETCDF_HOME) NETCDF_INC= -I$(NETCDF_DIR)/include/ - NETCDF_LIB= -L$(NETCDF_DIR)/lib/ -lnetcdff -L$(NETCDF_DIR)lib/ -lnetcdf + NETCDF_LIB= -L$(NETCDF_DIR)/lib/ -L$(NETCDF_DIR)/lib64/ -lnetcdf -lnetcdff endif ifdef USE_SFINCS - SFINCS_LIB = -L$(SFINCS_DIR) -lsfincs - SFINCS_INC = -I$(SFINCS_DIR) - - PETSC_INC = -I$(PETSC_HOME)/include -I$(LAPACK_HOME)/include -I$(MKL_HOME)/include - PETSC_LIB = -L$(PETSC_HOME)/lib -lpetsc -L$(LAPACK_HOME)/lib -llapack -L$(MKL_HOME)/lib/intel64 -lmkl_intel_lp64 - - HDF5_INC = -I$(HDF5_HOME)/include - HDF5_LIB = -L$(HDF5_HOME)/lib -lhdf5hl_fortran -lhdf5_fortran -lhdf5 -lhdf5_hl + SFINCS_LIB = -L$(SFINCS_DIR) -lsfincs + SFINCS_INC = -I$(SFINCS_DIR) + PETSC_INC = -I$(PETSC_HOME)/include -I$(LAPACK_HOME)/include -I$(MKL_HOME)/include + PETSC_LIB = -L$(PETSC_HOME)/lib -lpetsc -L$(LAPACK_HOME)/lib -llapack -L$(MKL_HOME)/lib/intel64 -lmkl_intel_lp64 + HDF5_INC = -I$(HDF5_HOME)/include + HDF5_LIB = -L$(HDF5_HOME)/lib -lhdf5hl_fortran -lhdf5_fortran -lhdf5 -lhdf5_hl endif diff --git a/DOCUMENTATION/example_output/input.dimensions b/DOCUMENTATION/example_output/input.dimensions new file mode 100644 index 0000000000..cff3e5ba2e Binary files /dev/null and b/DOCUMENTATION/example_output/input.dimensions differ diff --git a/DOCUMENTATION/example_output/input.dt1.fluxes_vs_t b/DOCUMENTATION/example_output/input.dt1.fluxes_vs_t new file mode 100644 index 0000000000..041bae384a --- /dev/null +++ b/DOCUMENTATION/example_output/input.dt1.fluxes_vs_t @@ -0,0 +1,3001 @@ + #time pflux (s=0) pflux (s=1) vflux (s=0) vflux (s=1) qflux (s=0) qflux (s=1) + 0.00000000e+00 8.62160000e-19 1.66990000e-20 0.00000000e+00 0.00000000e+00 -5.00410000e-19 8.34490000e-19 + 1.00000000e+00 -1.91750000e-06 -1.91750000e-06 0.00000000e+00 0.00000000e+00 -1.90430000e-05 -5.74370000e-06 + 2.00000000e+00 1.15600000e-07 1.15600000e-07 0.00000000e+00 0.00000000e+00 -1.16780000e-05 -1.20690000e-06 + 3.00000000e+00 5.36840000e-07 5.36840000e-07 0.00000000e+00 0.00000000e+00 -4.43960000e-06 2.25120000e-07 + 4.00000000e+00 2.68240000e-07 2.68240000e-07 0.00000000e+00 0.00000000e+00 -1.98960000e-06 1.82400000e-07 + 5.00000000e+00 1.06940000e-07 1.06940000e-07 0.00000000e+00 0.00000000e+00 -8.23130000e-07 1.17330000e-07 + 6.00000000e+00 4.03230000e-08 4.03230000e-08 0.00000000e+00 0.00000000e+00 -3.48060000e-07 6.88370000e-08 + 7.00000000e+00 2.80740000e-08 2.80740000e-08 0.00000000e+00 0.00000000e+00 -2.03740000e-07 6.07540000e-08 + 8.00000000e+00 3.06520000e-09 3.06520000e-09 0.00000000e+00 0.00000000e+00 -5.12440000e-08 1.88690000e-08 + 9.00000000e+00 6.10650000e-09 6.10650000e-09 0.00000000e+00 0.00000000e+00 -3.15130000e-08 1.78840000e-08 + 1.00000000e+01 2.00670000e-09 2.00670000e-09 0.00000000e+00 0.00000000e+00 -9.30150000e-09 7.84450000e-09 + 1.10000000e+01 1.06400000e-09 1.06400000e-09 0.00000000e+00 0.00000000e+00 -2.50760000e-09 4.37610000e-09 + 1.20000000e+01 -2.16270000e-10 -2.16270000e-10 0.00000000e+00 0.00000000e+00 -3.53130000e-10 1.26350000e-09 + 1.30000000e+01 -2.98570000e-10 -2.98570000e-10 0.00000000e+00 0.00000000e+00 5.21680000e-09 4.64280000e-10 + 1.40000000e+01 9.04160000e-10 9.04160000e-10 0.00000000e+00 0.00000000e+00 2.88910000e-09 1.95650000e-09 + 1.50000000e+01 1.17930000e-09 1.17930000e-09 0.00000000e+00 0.00000000e+00 3.42660000e-09 2.17410000e-09 + 1.60000000e+01 9.92800000e-10 9.92800000e-10 0.00000000e+00 0.00000000e+00 5.53470000e-09 1.72060000e-09 + 1.70000000e+01 5.92500000e-10 5.92500000e-10 0.00000000e+00 0.00000000e+00 5.55920000e-09 1.03520000e-09 + 1.80000000e+01 2.57560000e-10 2.57560000e-10 0.00000000e+00 0.00000000e+00 6.75750000e-09 4.51860000e-10 + 1.90000000e+01 2.14010000e-10 2.14010000e-10 0.00000000e+00 0.00000000e+00 7.36010000e-09 3.42620000e-10 + 2.00000000e+01 3.08510000e-10 3.08510000e-10 0.00000000e+00 0.00000000e+00 8.19980000e-09 4.45940000e-10 + 2.10000000e+01 3.58290000e-10 3.58290000e-10 0.00000000e+00 0.00000000e+00 8.89560000e-09 4.95510000e-10 + 2.20000000e+01 3.53350000e-10 3.53350000e-10 0.00000000e+00 0.00000000e+00 9.65020000e-09 4.68930000e-10 + 2.30000000e+01 3.24410000e-10 3.24410000e-10 0.00000000e+00 0.00000000e+00 1.07200000e-08 4.04980000e-10 + 2.40000000e+01 3.19720000e-10 3.19720000e-10 0.00000000e+00 0.00000000e+00 1.22000000e-08 3.71530000e-10 + 2.50000000e+01 3.48620000e-10 3.48620000e-10 0.00000000e+00 0.00000000e+00 1.36710000e-08 3.88630000e-10 + 2.60000000e+01 3.86260000e-10 3.86260000e-10 0.00000000e+00 0.00000000e+00 1.56410000e-08 4.08810000e-10 + 2.70000000e+01 4.31950000e-10 4.31950000e-10 0.00000000e+00 0.00000000e+00 1.78270000e-08 4.38000000e-10 + 2.80000000e+01 4.74960000e-10 4.74960000e-10 0.00000000e+00 0.00000000e+00 2.05610000e-08 4.54650000e-10 + 2.90000000e+01 5.18950000e-10 5.18950000e-10 0.00000000e+00 0.00000000e+00 2.37640000e-08 4.65330000e-10 + 3.00000000e+01 5.57690000e-10 5.57690000e-10 0.00000000e+00 0.00000000e+00 2.79210000e-08 4.51070000e-10 + 3.10000000e+01 6.10390000e-10 6.10390000e-10 0.00000000e+00 0.00000000e+00 3.30320000e-08 4.41170000e-10 + 3.20000000e+01 6.77990000e-10 6.77990000e-10 0.00000000e+00 0.00000000e+00 3.95080000e-08 4.29020000e-10 + 3.30000000e+01 7.69190000e-10 7.69190000e-10 0.00000000e+00 0.00000000e+00 4.75930000e-08 4.23400000e-10 + 3.40000000e+01 8.78640000e-10 8.78640000e-10 0.00000000e+00 0.00000000e+00 5.77910000e-08 4.08410000e-10 + 3.50000000e+01 1.01930000e-09 1.01930000e-09 0.00000000e+00 0.00000000e+00 7.04890000e-08 3.96090000e-10 + 3.60000000e+01 1.19730000e-09 1.19730000e-09 0.00000000e+00 0.00000000e+00 8.64240000e-08 3.81400000e-10 + 3.70000000e+01 1.42170000e-09 1.42170000e-09 0.00000000e+00 0.00000000e+00 1.06480000e-07 3.63430000e-10 + 3.80000000e+01 1.70290000e-09 1.70290000e-09 0.00000000e+00 0.00000000e+00 1.31730000e-07 3.38130000e-10 + 3.90000000e+01 2.05310000e-09 2.05310000e-09 0.00000000e+00 0.00000000e+00 1.63680000e-07 2.97570000e-10 + 4.00000000e+01 2.49320000e-09 2.49320000e-09 0.00000000e+00 0.00000000e+00 2.04150000e-07 2.40130000e-10 + 4.10000000e+01 3.05110000e-09 3.05110000e-09 0.00000000e+00 0.00000000e+00 2.55280000e-07 1.69780000e-10 + 4.20000000e+01 3.75500000e-09 3.75500000e-09 0.00000000e+00 0.00000000e+00 3.19980000e-07 7.69540000e-11 + 4.30000000e+01 4.64180000e-09 4.64180000e-09 0.00000000e+00 0.00000000e+00 4.01930000e-07 -4.90960000e-11 + 4.40000000e+01 5.75980000e-09 5.75980000e-09 0.00000000e+00 0.00000000e+00 5.05760000e-07 -2.17720000e-10 + 4.50000000e+01 7.16950000e-09 7.16950000e-09 0.00000000e+00 0.00000000e+00 6.37360000e-07 -4.43060000e-10 + 4.60000000e+01 8.94840000e-09 8.94840000e-09 0.00000000e+00 0.00000000e+00 8.04330000e-07 -7.43380000e-10 + 4.70000000e+01 1.11980000e-08 1.11980000e-08 0.00000000e+00 0.00000000e+00 1.01630000e-06 -1.13890000e-09 + 4.80000000e+01 1.40470000e-08 1.40470000e-08 0.00000000e+00 0.00000000e+00 1.28560000e-06 -1.65300000e-09 + 4.90000000e+01 1.76620000e-08 1.76620000e-08 0.00000000e+00 0.00000000e+00 1.62790000e-06 -2.32090000e-09 + 5.00000000e+01 2.22480000e-08 2.22480000e-08 0.00000000e+00 0.00000000e+00 2.06330000e-06 -3.18890000e-09 + 5.10000000e+01 2.80740000e-08 2.80740000e-08 0.00000000e+00 0.00000000e+00 2.61730000e-06 -4.31120000e-09 + 5.20000000e+01 3.54820000e-08 3.54820000e-08 0.00000000e+00 0.00000000e+00 3.32270000e-06 -5.76050000e-09 + 5.30000000e+01 4.48980000e-08 4.48980000e-08 0.00000000e+00 0.00000000e+00 4.22120000e-06 -7.64040000e-09 + 5.40000000e+01 5.68750000e-08 5.68750000e-08 0.00000000e+00 0.00000000e+00 5.36630000e-06 -1.00790000e-08 + 5.50000000e+01 7.21190000e-08 7.21190000e-08 0.00000000e+00 0.00000000e+00 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0.00000000e+00 0.00000000e+00 9.59850000e+00 2.38050000e-01 + 2.99910000e+03 2.09210000e-01 2.09210000e-01 0.00000000e+00 0.00000000e+00 9.57060000e+00 2.26110000e-01 diff --git a/DOCUMENTATION/example_output/input.geo b/DOCUMENTATION/example_output/input.geo new file mode 100644 index 0000000000..09cca5910d Binary files /dev/null and b/DOCUMENTATION/example_output/input.geo differ diff --git a/DOCUMENTATION/example_output/input.in b/DOCUMENTATION/example_output/input.in new file mode 100644 index 0000000000..66cf7e7954 --- /dev/null +++ b/DOCUMENTATION/example_output/input.in @@ -0,0 +1,11 @@ +&physics_flags + nonlinear = .true. +/ +&species_knobs + nspec = 2 +/ +&vmec_parameters + torflux = 0.49 + vmec_filename = 'wout_w7xr003.nc' +/ + diff --git a/DOCUMENTATION/example_output/input.out.nc.t200-3000 b/DOCUMENTATION/example_output/input.out.nc.t200-3000 new file mode 100644 index 0000000000..c47bc04fc5 Binary files /dev/null and b/DOCUMENTATION/example_output/input.out.nc.t200-3000 differ diff --git a/EXTERNALS/mini_libstell/makefile b/EXTERNALS/mini_libstell/makefile index 6257fcb9db..59b1da5775 100644 --- a/EXTERNALS/mini_libstell/makefile +++ b/EXTERNALS/mini_libstell/makefile @@ -72,7 +72,7 @@ $(BUILD)/mini_libstell.a: $(libstell_objects) | $(OBJ) # The -J $(MOD) flag makes sure that the compiler writes the *.mod files to the $(MOD) directory # The -I $(MOD) flag makes sure that the compiler looks for the *.mod files in the $(MOD) directory -MOD_FLAGS_MINI := -I $(MOD) -J $(MOD) +MOD_FLAGS_MINI := -I $(MOD) $(MODULE_FLAG) $(MOD) # Pattern rules to compile the scripts # For the preprocessed files *.F, we need to give the "NETCDF" option through the -D flag diff --git a/EXTERNALS/pyrokinetics b/EXTERNALS/pyrokinetics new file mode 160000 index 0000000000..70c7d32da2 --- /dev/null +++ b/EXTERNALS/pyrokinetics @@ -0,0 +1 @@ +Subproject commit 70c7d32da2d114f1df79ad7f5002f5d830c50112 diff --git a/POST_PROCESSING/stellapy/data/geometry/get_RZBFromCosineAndSineTransformVMEC.py b/POST_PROCESSING/stellapy/data/geometry/get_RZBFromCosineAndSineTransformVMEC.py new file mode 100644 index 0000000000..d9ede933a7 --- /dev/null +++ b/POST_PROCESSING/stellapy/data/geometry/get_RZBFromCosineAndSineTransformVMEC.py @@ -0,0 +1,585 @@ + +#!/usr/bin/python3 +import sys, os +import pathlib +import numpy as np +import pickle +import netCDF4 as nc4 +from stellapy.utils.decorators.exit_program import exit_program + +# Stellapy package +sys.path.append(os.path.abspath(pathlib.Path(os.environ.get('STELLAPY')).parent)+os.path.sep) +from stellapy.data.geometry.get_interpolationWeights import get_interpolationWeightsOnHalfGrid +from stellapy.data.geometry.get_interpolationWeights import get_interpolationWeightsOnFullGrid +from stellapy.data.geometry.calculate_gridDivisionsAndSize import calculate_iota +from stellapy.utils.files.ensure_dir import ensure_dir + +#=============================================================================== +# Get (R,Z,B) from VMEC # +#=============================================================================== + +def get_RZBFromCosineAndSineTransformVMEC(wout_path, svalue, quantity, ntheta=50, nzeta=50): + + # Read from pickle + pickle_path = pathlib.Path(wout_path).parent/'Pickles'; ensure_dir(pickle_path) + pickle_path = pickle_path / (pathlib.Path(wout_path).stem+f"_{svalue:.2f}_{quantity}_{nzeta}_{ntheta}.pickle") + if (os.path.isfile(pickle_path)): + file = open(pickle_path, 'rb'); + DATA = pickle.load(file); file.close() + return DATA.R, DATA.Z, DATA.Q, DATA.zeta, DATA.theta, DATA.nfp + + # Reac the VMEC file + xm, xn, xm_nyq, xn_nyq, _, _, ns, nfp, rmnc, zmns, lmns, bmnc, gmnc, _ = read_vmecdata(wout_path) + + # Create a (zeta,theta) grid in cylindrical coordinates with (,) points + # In stellarators these coordinates are usually denoted by (u,v) + theta = np.linspace(0, 2*np.pi, num=ntheta) # u + zeta = np.linspace(0, 2*np.pi/nfp, num=nzeta) # v + + # Copy the toroidal and poloidal mode numbers to ease the notation + # Note that in stella we put int(n)/nfp below, however, this is already included above in + m_nyq = np.array([ int(m) for m in xm_nyq ]) + n_nyq = np.array([ int(n) for n in xn_nyq ]) + m = np.array([ int(m) for m in xm ]) + n = np.array([ int(n) for n in xn ]) + + # Get the interpolation weights, for when svalue lies between two flux surfaces + surfaces_indexes, surfaces_weights = get_interpolationWeightsOnHalfGrid(ns, svalue) + + # Initiate the (R,Z) coordinates and the quantity Q + R = np.zeros((ntheta, nzeta)) + Z = np.zeros((ntheta, nzeta)) + Q = np.zeros((ntheta, nzeta)) + + # Select the chosen quantity + if quantity=="B": qmnc = bmnc; qmns = [None] + if quantity=="J": qmnc = gmnc; qmns = [None] + if quantity=="L": qmnc = [None]; qmns = lmns + + # Consine and Sine Fourier transforms + for interpolation in [0,1]: + for itheta in range(len(theta)): + for izeta in range(len(zeta)): + + # When svalue denotes a flux surface between two flux surfaces + # that are given by vmec, we need to interpolate the values + weight = surfaces_weights[interpolation] + isurf = surfaces_indexes[interpolation] + + # Get the angles versus (m,n) + angle = m * theta[itheta] - n * zeta[izeta] + angle_nyq = m_nyq * theta[itheta] - n_nyq * zeta[izeta] + + # Get the cosinus and sinus of these angles + cos_angle = np.cos(angle); cos_angle_nyq = np.cos(angle_nyq) + sin_angle = np.sin(angle); sin_angle_nyq = np.sin(angle_nyq) + + # Calculate the (R,Z) coordinates by adding each (m,n) contribution + R[itheta, izeta] += np.sum(rmnc[isurf,:]*cos_angle[:]*weight) + Z[itheta, izeta] += np.sum(zmns[isurf,:]*sin_angle[:]*weight) + + # Calculate the quantities Q (qmnc), L (lmns) or J (bmnc) from the (m_nyq, n_nyq) contributions + if np.all(qmnc[0]!=None): Q[itheta, izeta] += np.sum(qmnc[isurf,:]*cos_angle_nyq[:]*weight) + if np.all(qmns[0]!=None): Q[itheta, izeta] += np.sum(qmns[isurf,:]*sin_angle_nyq[:]*weight) + + # Save the data as a pickle + DATA = DATAOBJECT_RZQ(R, Z, Q, zeta, theta, nfp) + file = open(pickle_path, "wb"); + pickle.dump(DATA , file); + file.close() + return R, Z, Q, zeta, theta, nfp + +#-------------------------- +class DATAOBJECT_RZQ: + def __init__(self, R, Z, Q, zeta, theta, nfp): + self.R = R + self.Z = Z + self.Q = Q + self.zeta = zeta + self.theta = theta + self.nfp = nfp + return + +#----------------------------- +def get_RZBKappaFromCosineAndSineTransformVMEC(wout_path, svalue, ntheta=50, nzeta=50): + + # Read from pickle + pickle_path = pathlib.Path(wout_path).parent/'Pickles'; ensure_dir(pickle_path) + pickle_path = pickle_path / (pathlib.Path(wout_path).stem+f"_{svalue:.2f}_kappa_{nzeta}_{ntheta}.pickle") + if (os.path.isfile(pickle_path)): + file = open(pickle_path, 'rb'); + DATA = pickle.load(file); file.close() + vmec_data = {'xm' : DATA.xm, 'xn' : DATA.xn, 'mnmax' : DATA.mnmax, 'lmns' : DATA.lmns} + vmec_data['surfaces_indexes'] = DATA.surfaces_indexes; vmec_data['surfaces_weights'] = DATA.surfaces_weights + return DATA, vmec_data + + # Reac the VMEC file + xm, xn, xm_nyq, xn_nyq, mnmax, mnmax_nyq, ns, nfp, rmnc, zmns, lmns, bmnc, gmnc, iotas = read_vmecdata(wout_path) + dataset = nc4.Dataset(wout_path, mode='r') + bsupumnc = dataset.variables['bsupumnc'][:].data + bsupvmnc = dataset.variables['bsupvmnc'][:].data + bsubumnc = dataset.variables['bsubumnc'][:].data + bsubvmnc = dataset.variables['bsubvmnc'][:].data + bsubsmns = dataset.variables['bsubsmns'][:].data + Aminor = dataset.variables['Aminor_p'][:].data + isigng = dataset.variables['signgs'][:].data + phi = dataset.variables['phi'][:].data + iotaf = dataset.variables['iotaf'][:].data + iota = calculate_iota(svalue, ns, iotas) + edge_toroidal_flux_over_2pi = phi[ns-1] / (2*np.pi)*isigng + + # Create a (zeta,theta) grid in cylindrical coordinates with (,) points + # In stellarators these coordinates are usually denoted by (u,v) + theta = np.linspace(0, 2*np.pi, num=ntheta) # u + zeta = np.linspace(0, 2*np.pi/nfp, num=nzeta) # v + + # Copy the toroidal and poloidal mode numbers to ease the notation + # Note that in stella we put int(n)/nfp below, however, this is already included above in + m_nyq = np.array([ int(m) for m in xm_nyq ]) + n_nyq = np.array([ int(n) for n in xn_nyq ]) + m = np.array([ int(m) for m in xm ]) + n = np.array([ int(n) for n in xn ]) + + # Get the interpolation weights, for when svalue lies between two flux surfaces + surfaces_indexes, surfaces_weights = get_interpolationWeightsOnHalfGrid(ns, svalue) + surfaces_indexes_fullgrid, surfaces_weights_fullgrid = get_interpolationWeightsOnFullGrid(ns, svalue) + + # Initiate quentities versus r + d_R_d_s_mnc = np.zeros((ns, mnmax)) + d_Z_d_s_mns = np.zeros((ns, mnmax)) + d_Lambda_d_s_mns = np.zeros((ns, mnmax)) + d_B_d_s_mnc = np.zeros((ns, mnmax_nyq)) + + # Initiate the coordinates + Z = np.zeros((ntheta, nzeta)) + R = np.zeros((ntheta, nzeta)) + d_R_d_s = np.zeros((ntheta, nzeta)) + d_R_d_zeta = np.zeros((ntheta, nzeta)) + d_R_d_theta = np.zeros((ntheta, nzeta)) + d_Z_d_s = np.zeros((ntheta, nzeta)) + d_Z_d_zeta = np.zeros((ntheta, nzeta)) + d_Z_d_theta = np.zeros((ntheta, nzeta)) + d_Lambda_d_s = np.zeros((ntheta, nzeta)) + d_Lambda_d_zeta = np.zeros((ntheta, nzeta)) + d_Lambda_d_theta = np.zeros((ntheta, nzeta)) + + # Initiate the quantities + B = np.zeros((ntheta, nzeta)) + sqrt_g = np.zeros((ntheta, nzeta)) + d_B_d_s = np.zeros((ntheta, nzeta)) + d_B_d_zeta = np.zeros((ntheta, nzeta)) + d_B_d_theta = np.zeros((ntheta, nzeta)) + B_sup_theta = np.zeros((ntheta, nzeta)) + B_sup_zeta = np.zeros((ntheta, nzeta)) + B_sub_s = np.zeros((ntheta, nzeta)) + B_sub_theta = np.zeros((ntheta, nzeta)) + B_sub_zeta = np.zeros((ntheta, nzeta)) + B_cross_grad_B_dot_grad_alpha = np.zeros((ntheta, nzeta)) + B_cross_grad_B_dot_grad_alpha_noshear = np.zeros((ntheta, nzeta)) + + # Step along s=rho**2 + normalized_toroidal_flux_full_grid = [ (i-1)/[ns-1] for i in np.arange(1,ns+1,1) ] + ds = normalized_toroidal_flux_full_grid[1] - normalized_toroidal_flux_full_grid[0] + + # Consine and Sine Fourier transforms + for interpolation in [0,1]: + for itheta in range(len(theta)): + for izeta in range(len(zeta)): + + # When svalue denotes a flux surface between two flux surfaces + # that are given by vmec, we need to interpolate the values + weight = surfaces_weights[interpolation] + isurf = surfaces_indexes[interpolation] + weight_fullgrid = surfaces_weights_fullgrid[interpolation] + isurff_fullgrid = surfaces_indexes_fullgrid[interpolation] + + # Get the angles versus (m,n) + angle = m * theta[itheta] - n * zeta[izeta] + angle_nyq = m_nyq * theta[itheta] - n_nyq * zeta[izeta] + + # Get the cosinus and sinus of these angles + cos_angle = np.cos(angle); cos_angle_nyq = np.cos(angle_nyq) + sin_angle = np.sin(angle); sin_angle_nyq = np.sin(angle_nyq) + + # Get the derivative of rmns; zmns and lmns with respect to s + # B and Lambda are on the half mesh, so their radial derivatives are on the full mesh. + # R and Z are on the full mesh, so their radial derivatives are on the half mesh. + d_R_d_s_mnc[1:ns,:] = (rmnc[1:ns,:] - rmnc[0:ns-1,:]) / ds + d_Z_d_s_mns[1:ns,:] = (zmns[1:ns,:] - zmns[0:ns-1,:]) / ds + d_Lambda_d_s_mns[1:ns-1,:] = (lmns[2:ns,:] - lmns[1:ns-1,:]) / ds + d_R_d_s_mnc[0] = 0; d_Z_d_s_mns[0] = 0 + d_Lambda_d_s_mns[0] = d_Lambda_d_s_mns[1] + d_Lambda_d_s_mns[ns-1] = d_Lambda_d_s_mns[ns-2] + + # Get the coordinate grids + Z[itheta, izeta] += np.sum(zmns[isurff_fullgrid,:]*sin_angle[:])*weight_fullgrid + R[itheta, izeta] += np.sum(rmnc[isurff_fullgrid,:]*cos_angle[:])*weight_fullgrid + d_R_d_theta[itheta, izeta] += -np.sum(m[:]*rmnc[isurff_fullgrid,:]*sin_angle[:])*weight_fullgrid + d_R_d_zeta[itheta, izeta] += np.sum(n[:]*rmnc[isurff_fullgrid,:]*sin_angle[:])*weight_fullgrid + d_Z_d_theta[itheta, izeta] += np.sum(m[:]*zmns[isurff_fullgrid,:]*cos_angle[:])*weight_fullgrid + d_Z_d_zeta[itheta, izeta] += -np.sum(n[:]*zmns[isurff_fullgrid,:]*cos_angle[:])*weight_fullgrid + d_Lambda_d_theta[itheta, izeta] += np.sum(m[:]*lmns[isurf,:]*cos_angle[:])*weight + d_Lambda_d_zeta[itheta, izeta] += -np.sum(n[:]*lmns[isurf,:]*cos_angle[:])*weight + + # Radial derivatives, since R is on the full mesh, its radial derivative is on the half mesh. + d_R_d_s[itheta, izeta] += np.sum(d_R_d_s_mnc[isurf]*cos_angle[:])*weight + d_Z_d_s[itheta, izeta] += np.sum(d_Z_d_s_mns[isurf]*sin_angle[:])*weight + d_Lambda_d_s[itheta, izeta] += np.sum(d_Lambda_d_s_mns[isurff_fullgrid]*sin_angle[:])*weight_fullgrid + + # Get the derivative of bmnc with respect to s and do a simplistic extrapolation at the endpoints (mn_nyq) + d_B_d_s_mnc[1:ns-1,:] = (bmnc[2:ns,:] - bmnc[1:ns-1,:]) / ds + d_B_d_s_mnc[0,:] = d_B_d_s_mnc[1,:]; d_B_d_s_mnc[ns-1,:] = d_B_d_s_mnc[ns-2,:] + + # Calculate magnetic quantities (derivatives to are clacluated on the full grid + B[itheta, izeta] += np.sum(bmnc[isurf,:]*cos_angle_nyq[:]*weight) + sqrt_g[itheta, izeta] += np.sum(gmnc[isurf,:]*cos_angle_nyq[:]*weight) + + d_B_d_s[itheta, izeta] += np.sum(d_B_d_s_mnc[isurff_fullgrid,:]*cos_angle_nyq[:]*weight_fullgrid) # d_B_d_s_mnc?? + d_B_d_theta[itheta, izeta] += -np.sum(m_nyq[:]*bmnc[isurf,:]*sin_angle_nyq[:]*weight) + d_B_d_zeta[itheta, izeta] += np.sum(n_nyq[:]*bmnc[isurf,:]*sin_angle_nyq[:]*weight) # n -> n*nfp??? + + B_sup_theta[itheta, izeta] += np.sum(bsupumnc[isurf,:]*cos_angle_nyq[:]*weight) + B_sup_zeta[itheta, izeta] += np.sum(bsupvmnc[isurf,:]*cos_angle_nyq[:]*weight) + + B_sub_s[itheta, izeta] += np.sum(bsubsmns[isurff_fullgrid,:]*sin_angle_nyq[:]*weight_fullgrid) + B_sub_theta[itheta, izeta] += np.sum(bsubumnc[isurf,:]*cos_angle_nyq[:]*weight) + B_sub_zeta[itheta, izeta] += np.sum(bsubvmnc[isurf,:]*cos_angle_nyq[:]*weight) + + # Normalize B + L_reference = a = Aminor + B_reference = Bref = 2*abs(edge_toroidal_flux_over_2pi) / (L_reference*L_reference) + sign_torflux = np.sign(edge_toroidal_flux_over_2pi) + bmag = B/B_reference + + # Calculate the shear + d_iota_d_s_on_half_grid = np.zeros(ns) + d_iota_d_s_on_half_grid[1:ns-1] = (iotaf[1:ns-1] - iotaf[0:ns-2]) / ds + d_iota_d_s = d_iota_d_s_on_half_grid[surfaces_indexes[0]]*surfaces_weights[0] + d_iota_d_s += d_iota_d_s_on_half_grid[surfaces_indexes[1]]*surfaces_weights[1] + shat = (-2*svalue / iota)*d_iota_d_s + + # We need cos(tzeta) and sin(zeta) to transform (R) to (X,Y) as a function of (theta, zeta) + cos_angle = (np.cos(zeta))[np.newaxis,:] + sin_angle = (np.sin(zeta))[np.newaxis,:] + + # X = R*cos(ζ); dX/dζ = (dR/dζ)*cos(ζ) - R*sin(ζ); dX/dθ = dR/dθ*cos(ζ) + d_X_d_s = d_R_d_s*cos_angle + d_X_d_zeta = d_R_d_zeta*cos_angle - R*sin_angle + d_X_d_theta = d_R_d_theta*cos_angle + + # Y = R*sin(ζ); dY/dζ = (dR/dζ)*sin(ζ) + R*cos(ζ); dY/dθ = dR/dθ*sin(ζ) + d_Y_d_s = d_R_d_s*sin_angle + d_Y_d_zeta = d_R_d_zeta*sin_angle + R*cos_angle + d_Y_d_theta = d_R_d_theta*sin_angle + + # Use the dual relations to get the Cartesian components of ∇s, ∇θ, and ∇ζ + # ∇s = 1/sqrt(g) (e_θ x e_ζ) = 1/sqrt(g) ((dX/dθ)e_X + (dY/dθ)e_Y + (dZ/dθ)e_Z) x ((dX/dζ)e_X + (dY/dζ)e_Y + (dZ/dζ)e_Z) + # ∇s . e_X = 1/sqrt(g) ( dY/dθ * dZ/dζ - dZ/dθ * dY/dζ ) + # ∇s . e_Y = 1/sqrt(g) ( dZ/dθ * dX/dζ - dX/dθ * dZ/dζ ) + # ∇s . e_Z = 1/sqrt(g) ( dX/dθ * dY/dζ - dY/dθ * dX/dζ ) + grad_s_X = (d_Y_d_theta * d_Z_d_zeta - d_Z_d_theta * d_Y_d_zeta) / sqrt_g + grad_s_Y = (d_Z_d_theta * d_X_d_zeta - d_X_d_theta * d_Z_d_zeta) / sqrt_g + grad_s_Z = (d_X_d_theta * d_Y_d_zeta - d_Y_d_theta * d_X_d_zeta) / sqrt_g + grad_zeta_X = (d_Y_d_s * d_Z_d_theta - d_Z_d_s * d_Y_d_theta) / sqrt_g + grad_zeta_Y = (d_Z_d_s * d_X_d_theta - d_X_d_s * d_Z_d_theta) / sqrt_g + grad_zeta_Z = (d_X_d_s * d_Y_d_theta - d_Y_d_s * d_X_d_theta) / sqrt_g + grad_theta_X = (d_Y_d_zeta * d_Z_d_s - d_Z_d_zeta * d_Y_d_s) / sqrt_g + grad_theta_Y = (d_Z_d_zeta * d_X_d_s - d_X_d_zeta * d_Z_d_s) / sqrt_g + grad_theta_Z = (d_X_d_zeta * d_Y_d_s - d_Y_d_zeta * d_X_d_s) / sqrt_g + + # In VMEC s = psi_t/psi_{t,LCFS} so psi_t = s*psi_{t,LCFS} + # ∇psi_t = (dpsi_t/ds) * ∇s + 0*∇θ + 0*∇ζ = d(psi_{t,LCFS}*s)/ds * ∇s = psi_{t,LCFS} * ∇s + grad_psit_X = grad_s_X * edge_toroidal_flux_over_2pi + grad_psit_Y = grad_s_Y * edge_toroidal_flux_over_2pi + grad_psit_Z = grad_s_Z * edge_toroidal_flux_over_2pi + + # ∇alpha = ∇(theta_pest - iota*zeta) = ∇(theta + Lambda - iota*zeta) + # = (dλ/ds - ζ (diota/ds) ∇s + (1 + dλ/dθ) ∇θ + (dλ/dζ - iota) ∇ζ + # First add the part the final two terms in ∇alpha = (dλ/ds - ζ (diota/ds) ∇s + (1 + dλ/dθ) ∇θ + (dλ/dζ - iota) ∇ζ + grad_alpha_X = (1 + d_Lambda_d_theta) * grad_theta_X + (-iota + d_Lambda_d_zeta) * grad_zeta_X + grad_alpha_Y = (1 + d_Lambda_d_theta) * grad_theta_Y + (-iota + d_Lambda_d_zeta) * grad_zeta_Y + grad_alpha_Z = (1 + d_Lambda_d_theta) * grad_theta_Z + (-iota + d_Lambda_d_zeta) * grad_zeta_Z + + # Then add the part which depends on zeta, assuming alpha = theta_pest - iota*zeta + grad_alpha_X += (d_Lambda_d_s - zeta[np.newaxis,:]*d_iota_d_s)*grad_s_X + grad_alpha_Y += (d_Lambda_d_s - zeta[np.newaxis,:]*d_iota_d_s)*grad_s_Y + grad_alpha_Z += (d_Lambda_d_s - zeta[np.newaxis,:]*d_iota_d_s)*grad_s_Z + + # Only the secular term, and without the secular term + grad_alpha_X_shearingpart = -zeta[np.newaxis,:]*d_iota_d_s*grad_s_X + grad_alpha_Y_shearingpart = -zeta[np.newaxis,:]*d_iota_d_s*grad_s_Y + grad_alpha_Z_shearingpart = -zeta[np.newaxis,:]*d_iota_d_s*grad_s_Z + grad_alpha_X_noshear = grad_alpha_X - grad_alpha_X_shearingpart + grad_alpha_Y_noshear = grad_alpha_Y - grad_alpha_Y_shearingpart + grad_alpha_Z_noshear = grad_alpha_Z - grad_alpha_Z_shearingpart + + # = (a^2) ∇α . ∇α + # = (1/Bref) ∇α . ∇ψt + # = (1/(a^2*Bref^2)) ∇ψt . ∇ψt + grad_alpha_grad_alpha = (a*a) * (grad_alpha_X * grad_alpha_X + grad_alpha_Y * grad_alpha_Y + grad_alpha_Z * grad_alpha_Z) + grad_alpha_grad_psit = (1./Bref) * (grad_alpha_X * grad_psit_X + grad_alpha_Y * grad_psit_Y + grad_alpha_Z * grad_psit_Z) + grad_psit_grad_psit = 1/(a*a*Bref*Bref) * (grad_psit_X * grad_psit_X + grad_psit_Y * grad_psit_Y + grad_psit_Z * grad_psit_Z) + + # Without shear + grad_alpha_grad_alpha_noshear = (a*a) * (grad_alpha_X_noshear * grad_alpha_X_noshear + grad_alpha_Y_noshear * grad_alpha_Y_noshear + grad_alpha_Z_noshear * grad_alpha_Z_noshear) + grad_alpha_grad_psit_noshear = (1./Bref) * (grad_alpha_X_noshear * grad_psit_X + grad_alpha_Y_noshear * grad_psit_Y + grad_alpha_Z_noshear * grad_psit_Z) + + # = B x ∇B . ∇ψt = psi_{t,LCFS}/sqrt(g) (- dB/dθ B_zeta + dB/dζ B_theta) + B_cross_grad_B_dot_grad_psit = edge_toroidal_flux_over_2pi / sqrt_g * (B_sub_theta * d_B_d_zeta - B_sub_zeta * d_B_d_theta) + + # We neglect shear in the calculation of + # By setting = 0 or making sure (zeta-zeta_center)=0 at each point + # So that we have a rectangular cross-section at each point + B_cross_grad_B_dot_grad_alpha[:,:] = 0 \ + + (B_sub_s[:,:]*d_B_d_theta[:,:]*(d_Lambda_d_zeta[:,:] - iota) \ + + B_sub_theta[:,:]*d_B_d_zeta[:,:]*(d_Lambda_d_s[:,:] - zeta[:]*d_iota_d_s) \ + + B_sub_zeta[:,:]*d_B_d_s[:,:]*(1 + d_Lambda_d_theta[:,:]) \ + - B_sub_zeta[:,:]*d_B_d_theta[:,:]*(d_Lambda_d_s[:,:] - zeta[:]*d_iota_d_s) \ + - B_sub_theta[:,:]*d_B_d_s[:,:]*(d_Lambda_d_zeta[:,:] - iota) \ + - B_sub_s[:,:]*d_B_d_zeta[:,:]*(1 + d_Lambda_d_theta[:,:])) / sqrt_g[:,:] + B_cross_grad_B_dot_grad_alpha_shearingpart = \ + + (B_sub_theta[:,:]*d_B_d_zeta[:,:]*(-d_iota_d_s) \ + - B_sub_zeta[:,:]*d_B_d_theta[:,:]*(-d_iota_d_s)) / sqrt_g[:,:] + B_cross_grad_B_dot_grad_alpha_noshear[:,:] = 0 \ + + (B_sub_s[:,:]*d_B_d_theta[:,:]*(d_Lambda_d_zeta[:,:] - iota) \ + + B_sub_theta[:,:]*d_B_d_zeta[:,:]*(d_Lambda_d_s[:,:]) \ + + B_sub_zeta[:,:]*d_B_d_s[:,:]*(1 + d_Lambda_d_theta[:,:]) \ + - B_sub_zeta[:,:]*d_B_d_theta[:,:]*(d_Lambda_d_s[:,:]) \ + - B_sub_theta[:,:]*d_B_d_s[:,:]*(d_Lambda_d_zeta[:,:] - iota) \ + - B_sub_s[:,:]*d_B_d_zeta[:,:]*(1 + d_Lambda_d_theta[:,:])) / sqrt_g[:,:] + + # Calculate grad B (could be wrong!) + # ∇B = (dB/ds) ∇s + (dB/dtheta) ∇theta + (dB/dzeta) ∇zeta + gradB_X = d_B_d_s*grad_s_X + d_B_d_theta*grad_theta_X + d_B_d_zeta*grad_zeta_X + gradB_Y = d_B_d_s*grad_s_Y + d_B_d_theta*grad_theta_Y + d_B_d_zeta*grad_zeta_Y + gradB_Z = d_B_d_s*grad_s_Y + d_B_d_theta*grad_theta_Z + d_B_d_zeta*grad_zeta_Z + + # Collect the vmec data needed for + vmec_data = {'xm' : xm, 'xn' : xn, 'mnmax' : mnmax, 'lmns' : lmns} + vmec_data['surfaces_indexes'] = surfaces_indexes; vmec_data['surfaces_weights'] = surfaces_weights + + # Save the data as a pickle + DATA = DATAOBJECT_KAPPA(zeta, theta, nfp, iota, xm, xn, mnmax, lmns, surfaces_indexes, surfaces_weights, + d_R_d_s_mnc, d_Z_d_s_mns, d_Lambda_d_s_mns, d_B_d_s_mnc, Z, R, B, d_R_d_s, d_R_d_zeta, d_R_d_theta, + d_Z_d_s, d_Z_d_zeta, d_Z_d_theta, d_Lambda_d_s, d_Lambda_d_zeta, d_Lambda_d_theta, sqrt_g, + d_B_d_s, d_B_d_zeta, d_B_d_theta, B_sup_theta, B_sup_zeta, B_sub_s, B_sub_theta, + B_sub_zeta, B_cross_grad_B_dot_grad_alpha, ns, normalized_toroidal_flux_full_grid, ds, + B_cross_grad_B_dot_grad_alpha_noshear, B_cross_grad_B_dot_grad_alpha_shearingpart, + grad_alpha_grad_alpha, grad_alpha_grad_psit, grad_psit_grad_psit, B_cross_grad_B_dot_grad_psit, + grad_alpha_grad_alpha_noshear, grad_alpha_grad_psit_noshear, shat, sign_torflux, + L_reference, B_reference, bmag) + file = open(pickle_path, "wb"); + pickle.dump(DATA , file); + file.close() + + # Return the curvature and the coordinates + return DATA, vmec_data + +#-------------------------- +class DATAOBJECT_KAPPA: + def __init__(self, zeta, theta, nfp, iota, xm, xn, mnmax, lmns, surfaces_indexes, surfaces_weights, + d_R_d_s_mnc, d_Z_d_s_mns, d_Lambda_d_s_mns, d_B_d_s_mnc, Z, R, B, d_R_d_s, d_R_d_zeta, d_R_d_theta, + d_Z_d_s, d_Z_d_zeta, d_Z_d_theta, d_Lambda_d_s, d_Lambda_d_zeta, d_Lambda_d_theta, sqrt_g, + d_B_d_s, d_B_d_zeta, d_B_d_theta, B_sup_theta, B_sup_zeta, B_sub_s, B_sub_theta, + B_sub_zeta, B_cross_grad_B_dot_grad_alpha, ns, normalized_toroidal_flux_full_grid, ds, + B_cross_grad_B_dot_grad_alpha_noshear, B_cross_grad_B_dot_grad_alpha_shearingpart, + grad_alpha_grad_alpha, grad_alpha_grad_psit, grad_psit_grad_psit, B_cross_grad_B_dot_grad_psit, + grad_alpha_grad_alpha_noshear, grad_alpha_grad_psit_noshear, shat, sign_torflux, + L_reference, B_reference, bmag): + self.R = R; self.Z = Z; self.B = B; self.sqrt_g = sqrt_g + self.zeta = zeta; self.theta = theta; self.ds = ds; self.ns = ns + self.nfp = nfp; self.iota = iota; self.shat = shat; self.sign_torflux = sign_torflux + self.xm = xm; self.xn = xn; self.mnmax = mnmax + self.lmns = lmns; self.surfaces_indexes = surfaces_indexes; self.surfaces_weights = surfaces_weights + self.d_R_d_s_mnc = d_R_d_s_mnc; self.d_Z_d_s_mns = d_Z_d_s_mns; self.d_B_d_s_mnc = d_B_d_s_mnc; self.d_Lambda_d_s_mns = d_Lambda_d_s_mns + self.d_R_d_s = d_R_d_s; self.d_Z_d_s = d_Z_d_s; self.d_Lambda_d_s = d_Lambda_d_s + self.d_R_d_zeta = d_R_d_zeta; self.d_Z_d_zeta = d_Z_d_zeta; self.d_Lambda_d_zeta = d_Lambda_d_zeta + self.d_R_d_theta = d_R_d_theta; self.d_Z_d_theta = d_Z_d_theta; self.d_Lambda_d_theta = d_Lambda_d_theta + self.d_B_d_s = d_B_d_s; self.B_sub_s = B_sub_s; self.B_sub_zeta = B_sub_zeta + self.d_B_d_zeta = d_B_d_zeta; self.B_sup_zeta = B_sup_zeta + self.d_B_d_theta = d_B_d_theta; self.B_sup_theta = B_sup_theta; self.B_sub_theta = B_sub_theta + self.B_cross_grad_B_dot_grad_alpha = B_cross_grad_B_dot_grad_alpha + self.normalized_toroidal_flux_full_grid = normalized_toroidal_flux_full_grid + self.B_cross_grad_B_dot_grad_alpha_noshear = B_cross_grad_B_dot_grad_alpha_noshear + self.B_cross_grad_B_dot_grad_alpha_shearingpart = B_cross_grad_B_dot_grad_alpha_shearingpart + self.grad_alpha_grad_alpha = grad_alpha_grad_alpha; self.grad_alpha_grad_psit = grad_alpha_grad_psit + self.grad_psit_grad_psit = grad_psit_grad_psit; self.B_cross_grad_B_dot_grad_psit = B_cross_grad_B_dot_grad_psit + self.grad_alpha_grad_alpha_noshear = grad_alpha_grad_alpha_noshear; self.grad_alpha_grad_psit_noshear = grad_alpha_grad_psit_noshear + self.L_reference = L_reference; self.B_reference = B_reference; self.bmag = bmag + return + +#------------------------------------- +def get_CosineAndSineTransformOfRZQ_forFieldLine(wout_path, svalue, quantity, nzeta=50, toroidal_turns=1, alpha0=0): + + # Reac the VMEC file + xm, xn, xm_nyq, xn_nyq, mnmax, mnmax_nyq, ns, nfp, rmnc, zmns, lmns, bmnc, gmnc, iotas = read_vmecdata(wout_path) + + # Select the quantity + if quantity=='B': qmnc = bmnc; qmns = [None] + elif quantity=='lambda': qmnc = gmnc; qmns = [None] + else: exit_program('No other options are implemented.', get_CosineAndSineTransformOfRZQ_forFieldLine, sys._getframe().f_lineno) + + # Needed quantities + iota = calculate_iota(svalue, ns, iotas) + + # Get the pest theta and initiate the vmec theta + poloidal_turns = toroidal_turns*iota + theta_pest = np.linspace(-poloidal_turns*np.pi, poloidal_turns*np.pi, nzeta) + theta_vmec = np.empty((nzeta)) + + # The zeta array is calculted from alpha0 = theta_pest - iota * zeta + zeta = np.array([(x-alpha0)/iota for x in theta_pest]) + + # Copy the toroidal and poloidal mode numbers to ease the notation + m_nyq = np.array([ int(m) for m in xm_nyq ]) + n_nyq = np.array([ int(n) for n in xn_nyq ]) + m = np.array([ int(m) for m in xm ]) + n = np.array([ int(n) for n in xn ]) + + # Get the interpolation weights, for when svalue lies between two flux surfaces + surfaces_indexes, surfaces_weights = get_interpolationWeightsOnHalfGrid(ns, svalue) + + # Initiate the (R,Z) coordinates and the quantity Q + R_mn = np.zeros((nzeta, mnmax)) + Z_mn = np.zeros((nzeta, mnmax)) + Q_mn = np.zeros((nzeta, mnmax_nyq)) + + # Collect the vmec data needed for + vmec_data = {'xm' : xm, 'xn' : xn, 'mnmax' : mnmax, 'lmns' : lmns} + vmec_data['surfaces_indexes'] = surfaces_indexes; vmec_data['surfaces_weights'] = surfaces_weights + + # Consine and Sine Fourier transforms + for interpolation in [0,1]: + for izeta in range(len(zeta)): + + # Calculate the theta angle for vmec + theta_vmec[izeta] = pest_to_vmec(theta_pest[izeta], zeta[izeta], vmec_data) + + # When svalue denotes a flux surface between two flux surfaces + # that are given by vmec, we need to interpolate the values + weight = surfaces_weights[interpolation] + isurf = surfaces_indexes[interpolation] + + # Get the angle + angle = m * theta_vmec[izeta] - n * zeta[izeta] + angle_nyq = m_nyq * theta_vmec[izeta] - n_nyq * zeta[izeta] + + # Get the cosinus and sinus + cos_angle = np.cos(angle); cos_angle_nyq = np.cos(angle_nyq) + sin_angle = np.sin(angle); sin_angle_nyq = np.sin(angle_nyq) + + # Calculate the (R,Z) coordinates + R_mn[izeta, :] += rmnc[isurf,:]*cos_angle*weight + Z_mn[izeta, :] += zmns[isurf,:]*sin_angle*weight + + # Calculate the quantity Q + if np.all(qmnc[0]!=None): Q_mn[izeta, :] += qmnc[isurf,:]*cos_angle_nyq*weight + if np.all(qmns[0]!=None): Q_mn[izeta, :] += qmns[isurf,:]*sin_angle_nyq*weight + + # Sum away the (m,n) modes + R = np.sum(R_mn[:, :], axis=1) + Z = np.sum(Z_mn[:, :], axis=1) + Q = np.sum(Q_mn[:, :], axis=1) + + # Return R(zeta,theta); Z(zeta, theta) and Q(zeta, theta) + return R, Z, Q, zeta, theta_pest, nfp + +#-------------------------- +def read_vmecdata(wout_path): + + # Read the netcdf file + dataset = nc4.Dataset(wout_path, mode='r') + + # Poloidal and toroidal mode numbers + # For most VMECs + xm = dataset.variables['xm'][:] # Poloidal mode numbers xm(mn_mode) + xn = dataset.variables['xn'][:] # Toroidal mode numbers xn(mn_mode) + xm_nyq = dataset.variables['xm_nyq'][:] # Poloidal mode numbers (Nyquist) xm_nyq(mn_mode_nyq) + xn_nyq = dataset.variables['xn_nyq'][:] # Toroidal mode numbers (Nyquist) xn_nyq(mn_mode_nyq) + + # Dimensions + ns = int(dataset.variables['ns'][:]) + nfp = int(dataset.variables['nfp'][:]) + mnmax = int(dataset.variables['mnmax'][:]) + mnmax_nyq = int(dataset.variables['mnmax_nyq'][:]) + + # Read rmnc, zmns and bmnc versus (radius,mn_mode) + rmnc = dataset.variables['rmnc'][:] # cosmn component of cylindrical R, full mesh + zmns = dataset.variables['zmns'][:] # sinmn component of cylindrical Z, full mesh + bmnc = dataset.variables['bmnc'][:] # cosmn component of mod-B, half mesh + lmns = dataset.variables['lmns'][:] # cosmn component of lambda, half mesh + gmnc = dataset.variables['gmnc'][:] # cosmn component of jacobian, half mesh + + # Rotational transform + iotas = dataset.variables['iotas'][:] + + # Stellarator-asymmetric terms + lasym = dataset.variables['lasym__logical__'][:] + if lasym: print('ABORT: is not implemented yet.'); sys.exit() + + # Check grid sizes + print(f' xm: {np.shape(xm)}') + print(f' xn: {np.shape(xn)}') + print(f' xm_nyq: {np.shape(xm_nyq)}') + print(f' xn_nyq: {np.shape(xn_nyq)}') + print(f' rmnc: {np.shape(rmnc)}') + print(f' zmns: {np.shape(zmns)}') + print(f' lmns: {np.shape(lmns)}') + print(f' bmnc: {np.shape(bmnc)}') + print(f' gmnc: {np.shape(gmnc)}'); print() + return xm, xn, xm_nyq, xn_nyq, mnmax, mnmax_nyq, ns, nfp, rmnc, zmns, lmns, bmnc, gmnc, iotas + +#-------------------------- +def pest_to_vmec(theta_pest=0.8, zeta0=0.0, vmec_data=None): + from scipy.optimize import fsolve + x_roots = fsolve(lambda x: fzero_residual(x, theta_pest, zeta0, vmec_data), x0=theta_pest) + return x_roots + +#-------------------------- +def fzero_residual(x, theta_pest_target=0.0, zeta0=0.0, vmec_data=None): + ''' Note that lmns and lmnc use the non-Nyquist xm, xn, and mnmax. + Also note that lmns and lmnc are on the HALF grid. + residual = (theta_pest based on theta_vmec_try) - theta_pest_target = theta_vmec_try + Lambda - theta_pest_target + The variable x plays the role of theta_vmec_try. ''' + + # The data needed from the vmec file + xm = vmec_data['xm'] + xn = vmec_data['xn'] + mnmax = vmec_data['mnmax'] + lmns = vmec_data['lmns'] + surfaces_indexes = vmec_data['surfaces_indexes'] + surfaces_weights = vmec_data['surfaces_weights'] + + # x = theta_vmec_try in Matt's VMEC_2_GS2 interface + fzero_residual = x - theta_pest_target + + # Iterate over the modes + for imn in range(mnmax): + + # Get the angle + sin_angle = np.sin(xm[imn]*x - xn[imn]*zeta0) + + # Interpolate the calculation between the flux surfaces + for interpolation in [0,1]: + + # When svalue denotes a flux surface between two flux surfaces + # that are given by vmec, we need to interpolate the values + weight = surfaces_weights[interpolation] + isurf = surfaces_indexes[interpolation] + + # Calculate fzero_residual + fzero_residual = fzero_residual + lmns[isurf, imn]*sin_angle*weight + + return fzero_residual + +#=============================================================================== +# TEST CODE # +#=============================================================================== + +if __name__ == "__main__": + wout_path = pathlib.Path('/home/hanne/CIEMAT/RESEARCH/MagneticEquilibria/VmecFiles/wout_asdex.nc') + wout_path = pathlib.Path('/home/hanne/CIEMAT/RESEARCH/MagneticEquilibria/VmecFiles/wout_tok_cbc_2T.nc') + wout_path = pathlib.Path('/home/hanne/CIEMAT/RESEARCH/MagneticEquilibria/VmecFiles/wout_w7xr003.nc') + wout_path = pathlib.Path('/home/hanne/CIEMAT/RESEARCH/MagneticEquilibria/VmecFiles/wout_aug_vacuum.nc') + _, _, Q, zeta, theta, nfp = get_RZBFromCosineAndSineTransformVMEC(wout_path, svalue=0.7, quantity='B', ntheta=20, nzeta=20) + \ No newline at end of file diff --git a/POST_PROCESSING/stellapy/data/geometry/get_interpolationWeights.py b/POST_PROCESSING/stellapy/data/geometry/get_interpolationWeights.py new file mode 100644 index 0000000000..74fb0959ab --- /dev/null +++ b/POST_PROCESSING/stellapy/data/geometry/get_interpolationWeights.py @@ -0,0 +1,20 @@ + +from stellapy.data.geometry.calculate_geometricQuantitiesVMEC import vmec + +def get_interpolationWeightsOnHalfGrid(ns, svalue): + """" Get the interpolation weights, for when svalue lies between two flux surfaces. """ + VMEC = vmec(verbose=False) + VMEC.alpha0 = 0 + VMEC.normalized_toroidal_flux_used = svalue + VMEC.calculate_normalizedToroidalFluxOnFullAndHalfGrids(ns) + VMEC.calculate_interpolationWeights(ns) + return VMEC.radial_index_half, VMEC.radial_weight_half + +def get_interpolationWeightsOnFullGrid(ns, svalue): + """" Get the interpolation weights, for when svalue lies between two flux surfaces. """ + VMEC = vmec(verbose=False) + VMEC.alpha0 = 0 + VMEC.normalized_toroidal_flux_used = svalue + VMEC.calculate_normalizedToroidalFluxOnFullAndHalfGrids(ns) + VMEC.calculate_interpolationWeights(ns) + return VMEC.radial_index_full, VMEC.radial_weight_full \ No newline at end of file diff --git a/POST_PROCESSING/stellapy/plot/geometry/plot_fluxSurfacein3D.py b/POST_PROCESSING/stellapy/plot/geometry/plot_fluxSurfacein3D.py new file mode 100644 index 0000000000..0bc63a4557 --- /dev/null +++ b/POST_PROCESSING/stellapy/plot/geometry/plot_fluxSurfacein3D.py @@ -0,0 +1,135 @@ +""" + +Plot B(X,Y,Z). + +Hanne Thienpondt +25/02/2025 + +""" + +#!/usr/bin/python3 +from PIL import Image +import os, sys +import pathlib +import numpy as np +import matplotlib +import matplotlib.pyplot as plt +from mpl_toolkits.mplot3d import Axes3D #@UnusedImport + +# Stellapy package +sys.path.append(os.path.abspath(pathlib.Path(os.environ.get('STELLAPY')).parent)+os.path.sep) +from stellapy.data.geometry.get_RZBFromCosineAndSineTransformVMEC import get_RZBFromCosineAndSineTransformVMEC +from stellapy.data.geometry.get_RZBFromCosineAndSineTransformVMEC import get_CosineAndSineTransformOfRZQ_forFieldLine +from stellapy.utils.files.ensure_dir import ensure_dir + +def plot_fluxSurfacein3D(wout_path, svalue=None, rho=0.7, ntheta=50, nzeta=50, quantity="B", \ + set_title=False, colorbar=False, show=True, force_limits=False, vmin=0, vmax=0, plot_field_line=False): + + # Check the quantity: B, jacobian or lambda + if quantity not in ["B", "J", "L"]: return + + # Radial position + if svalue==None: svalue = rho*rho + + # Read R(zeta,theta); Z(zeta, theta) and Q(zeta, theta) from the VMEC netcdf file + R, Z, Q, zeta, _, nfp = get_RZBFromCosineAndSineTransformVMEC(wout_path, svalue, quantity, ntheta, nzeta) + + # Create the figure + fig = plt.figure(figsize=(18, 9)) + ax = fig.add_subplot(projection='3d') + ax.set_rasterization_zorder(-10) + + # Iterate over the field periods + for i in range(nfp+1): + + # Transform (R,Z) to (X,Y) + X = R*np.cos(zeta+i*2*np.pi/nfp) + Y = R*np.sin(zeta+i*2*np.pi/nfp) + + # Plot + ax, m = plot3D(ax, X, Y, Z, Q) + + # Remember limits + if not force_limits: + vmin = np.min([vmin,np.min(X)]) + vmax = np.max([vmax,np.max(X)]) + + # Plot the field line + if plot_field_line: + R, Z, Q, zeta, theta_pest, nfp = get_CosineAndSineTransformOfRZQ_forFieldLine(wout_path, svalue, quantity, nzeta=50, toroidal_turns=1, alpha0=0) + X = R*np.cos(zeta+i*2*np.pi/nfp) + Y = R*np.sin(zeta+i*2*np.pi/nfp) + ax.plot(X, Y, Z, color='red', lw=10) + + # Set limits + ax.set_xlim([vmin, vmax]) + ax.set_ylim([vmin, vmax]) + ax.set_zlim3d([vmin, vmax]) + + # Set title + if set_title: + if quantity=="B": ax.set_title('Magnetic field strength') + if quantity=="L": ax.set_title('Lambda') + if quantity=="J": ax.set_title('Jacobian') + + # Intial viewing angle + view = "narrow"; angle=5 + if view=="top": ax.view_init(90,angle) + if view=="bottom": ax.view_init(270,angle) + if view=="side": ax.view_init(0,angle) + if view=="both": ax.view_init(45,angle) + if view=="narrow": ax.view_init(15,angle) + + # Show figure + ax.set_box_aspect((np.ptp([vmin, vmax]), np.ptp([vmin, vmax]), np.ptp([vmin, vmax]))) + if colorbar: fig.colorbar(m) + ax.set_axis_off() + if show: plt.show() + return fig, ax + +#--------------------- +def plot3D(ax,x,y,z,f): + + # fourth dimention - colormap + # create colormap ccording to x-value (can use any 50x50 array) + color_dimension = f # change to desired fourth dimension + minn, maxx = color_dimension.min(), color_dimension.max() + norm = matplotlib.colors.Normalize(minn, maxx) + m = plt.cm.ScalarMappable(norm=norm, cmap='jet') + m.set_array([]) + fcolors = m.to_rgba(color_dimension) + + # plot + ax.plot_surface(x,y,z, rstride=1, cstride=1, facecolors=fcolors, vmin=minn, vmax=maxx, shade=False) + ax.set_xlabel('X [m]') + ax.set_ylabel('Y [m]') + ax.set_zlabel('Z [m]') + return ax, m + + +#------------------------------------------------------------------------------- +# Run as the main script +#------------------------------------------------------------------------------- +if __name__ == "__main__": + + # VMEC file + stella_folder = os.path.abspath(pathlib.Path(os.environ.get('STELLAPY')).parent.parent) + figure_folder = stella_folder / pathlib.Path("stellapy_figures"); ensure_dir(figure_folder) + vmec = stella_folder / pathlib.Path("DOCUMENTATION/VMEC_equilibria/wout_w7x_standardConfig.nc"); device = 'W7X' + vmec = stella_folder / pathlib.Path("DOCUMENTATION/VMEC_equilibria/wout_161s1.nc"); device = 'NCSX' + + # Radial location + rho = 0.8 + + # Resolution + n = 50 + dpi = 500 + + # Plot the last closed flux surface + fig, ax = plot_fluxSurfacein3D(vmec, rho=rho, ntheta=n, nzeta=n, quantity="B", show=False) + + # Save the figure as eps + name = figure_folder/("rho"+str(int(rho*100))+"_n"+str(n)+"_"+device+".png") + fig.savefig(name, format='png', dpi=dpi) + print("Saved 3D flux surface for "+vmec.name) + diff --git a/POST_PROCESSING/stellapy/plot/nonlinear/quantity_vs_xy.py b/POST_PROCESSING/stellapy/plot/nonlinear/quantity_vs_xy.py index 6f9cab1fa1..cc9805bf0e 100755 --- a/POST_PROCESSING/stellapy/plot/nonlinear/quantity_vs_xy.py +++ b/POST_PROCESSING/stellapy/plot/nonlinear/quantity_vs_xy.py @@ -1,4 +1,12 @@ - +""" + +Plot potential(x,y). + +Hanne Thienpondt +25/02/2025 + +""" + #!/usr/bin/python3 import copy import sys, os @@ -20,6 +28,7 @@ from stellapy.plot.utils.surface.get_colorMap import get_colorMap from stellapy.utils.decorators.exit_program import exit_program from stellapy.simulations.Research import create_research +from stellapy.utils.files.ensure_dir import ensure_dir from stellapy.plot.utils.labels import standardLabels from stellapy.utils.commandprompt.bash import Bash @@ -28,7 +37,7 @@ #=============================================================================== def plot_quantity_vs_xy(folder, z_quantity="phi", specie=None, tstart=None, tend=None, z=None, - remove_zonal_modes=True, log=False, crange=None, ordersOfMagnitude=2, interpolation_step=20): + remove_zonal_modes=True, log=False, crange=None, ordersOfMagnitude=2, interpolation_step=20, show=True): # Create based on the given research = create_research(folders=folder) @@ -57,8 +66,8 @@ def plot_quantity_vs_xy(folder, z_quantity="phi", specie=None, tstart=None, tend # Show the figure mpl.rcParams["savefig.directory"] = folder - plt.show() - return + if show: plt.show() + return fig #---------------------------------------- def subplot_quantity_vs_xy(ax, simulation, z_quantity, specie, t_range=None, z=None, interpolation_step=None, @@ -260,14 +269,20 @@ def get_fourierSpaceDataFromSaturatedFiles(simulation, z_quantity, specie, z): plot_quantity_vs_xy(**bash.get_arguments()) ################################################################################ -# DEBUG MODE # +# STELLAPY EXAMPLE # ################################################################################ -if __name__ == "__main__": - import pathlib - folder = pathlib.Path("/home/hanne/CIEMAT/RUNS/test_CBC2/biggrid") - plot_quantity_vs_xy(folder, z=0, tstart=310) - sys.exit() +if __name__ == "__main__": + + # Example output file + stella_folder = os.path.abspath(pathlib.Path(os.environ.get('STELLAPY')).parent.parent) + figure_folder = stella_folder / pathlib.Path("stellapy_figures"); ensure_dir(figure_folder) + data_folder = stella_folder / pathlib.Path("DOCUMENTATION/example_output") + + # Plot potential(x,y) + fig = plot_quantity_vs_xy(data_folder, z_quantity='phi', show=False) + fig.savefig(figure_folder / "potential_vs_xy.png", format='png', dpi=500) + print("Saved potential(x,y)") diff --git a/STELLA_CODE/diagnostics/diagnostics_potential.f90 b/STELLA_CODE/diagnostics/diagnostics_potential.f90 index 7bbeeac246..98e5fca244 100644 --- a/STELLA_CODE/diagnostics/diagnostics_potential.f90 +++ b/STELLA_CODE/diagnostics/diagnostics_potential.f90 @@ -54,7 +54,9 @@ subroutine write_potential_to_netcdf_file(istep, nout, timer, write_to_netcdf_fi use stella_io, only: write_phi2_nc use stella_io, only: write_apar2_nc use stella_io, only: write_bpar2_nc - use stella_io, only: write_phi_nc + use stella_io, only: write_phi_nc + use stella_io, only: write_apar_nc + use stella_io, only: write_bpar_nc use stella_io, only: write_kspectra_nc use stella_time, only: code_dt, code_time @@ -64,7 +66,11 @@ subroutine write_potential_to_netcdf_file(istep, nout, timer, write_to_netcdf_fi ! Input file use parameters_diagnostics, only: write_phi_vs_kxkyz + use parameters_diagnostics, only: write_apar_vs_kxkyz + use parameters_diagnostics, only: write_bpar_vs_kxkyz use parameters_diagnostics, only: write_phi2_vs_kxky + use parameters_diagnostics, only: write_apar2_vs_kxky + use parameters_diagnostics, only: write_bpar2_vs_kxky implicit none @@ -103,10 +109,18 @@ subroutine write_potential_to_netcdf_file(istep, nout, timer, write_to_netcdf_fi call volume_average(apar_vs_kykxzt, apar2) call volume_average(bpar_vs_kykxzt, bpar2) call write_potential_to_ascii_file(istep, phi2, apar2, bpar2) - if (include_apar) then - write (*, '(A2,I7,A2,ES12.4,A2,ES12.4,A2,ES12.4,A2,ES12.4)') " ", istep, " ", code_time, " ", code_dt, " ", phi2, " ", apar2 + if (include_apar .and. include_bpar) then + write (*, '(A2,I7,A2,ES12.4,A2,ES12.4,A2,ES12.4,A2,ES12.4,A2,ES12.4)') & + " ", istep, " ", code_time, " ", code_dt, " ", phi2, " ", apar2, " ", bpar2 + else if (include_apar) then + write (*, '(A2,I7,A2,ES12.4,A2,ES12.4,A2,ES12.4,A2,ES12.4)') & + " ", istep, " ", code_time, " ", code_dt, " ", phi2, " ", apar2 + else if (include_bpar) then + write (*, '(A2,I7,A2,ES12.4,A2,ES12.4,A2,ES12.4,A2,ES12.4)') & + " ", istep, " ", code_time, " ", code_dt, " ", phi2, " ", bpar2 else - write (*, '(A2,I7,A2,ES12.4,A2,ES12.4,A2,ES12.4)') " ", istep, " ", code_time, " ", code_dt, " ", phi2 + write (*, '(A2,I7,A2,ES12.4,A2,ES12.4,A2,ES12.4)') & + " ", istep, " ", code_time, " ", code_dt, " ", phi2 end if end if @@ -123,39 +137,40 @@ subroutine write_potential_to_netcdf_file(istep, nout, timer, write_to_netcdf_fi call write_apar2_nc(nout, apar2) call write_bpar2_nc(nout, bpar2) - ! Write phi(t,ky,kx,z,tube) to the netcdf file + ! Write phi(t,ky,kx,z,tube), apar(t,ky,kx,z,tube) and bpar(t,ky,kx,z,tube) to the netcdf file if (write_phi_vs_kxkyz) then if (debug) write (*, *) 'diagnostics::diagnostics_stella::write_phi_nc' call write_phi_nc(nout, phi_vs_kykxzt) end if + if (write_apar_vs_kxkyz .and. include_apar) then + if (debug) write (*, *) 'diagnostics::diagnostics_stella::write_apar_nc' + call write_apar_nc(nout, apar_vs_kykxzt) + end if + if (write_bpar_vs_kxkyz .and. include_bpar) then + if (debug) write (*, *) 'diagnostics::diagnostics_stella::write_bpar_nc' + call write_bpar_nc(nout, bpar_vs_kykxzt) + end if ! Write phi2(t,ky,kx) to the netcdf file if (write_phi2_vs_kxky) then - if (debug) write (*, *) 'diagnostics::diagnostics_stella::write_kspectra_nc' - - ! For phi2 + if (debug) write (*, *) 'diagnostics::diagnostics_stella::write_kspectra_nc' allocate (phi2_vs_kxky(naky, nakx)) call fieldline_average(real(phi_vs_kykxzt * conjg(phi_vs_kykxzt)), phi2_vs_kxky) call write_kspectra_nc(nout, phi2_vs_kxky, "phi2_vs_kxky", "electrostatic potential") deallocate (phi2_vs_kxky) - - ! For apar - if (include_apar) then - allocate (apar2_vs_kxky(naky, nakx)) - call fieldline_average(real(apar_vs_kykxzt * conjg(apar_vs_kykxzt)), apar2_vs_kxky) - call write_kspectra_nc(nout, apar2_vs_kxky, "apar2_vs_kxky", "parallel vector potential") - deallocate (apar2_vs_kxky) - end if - - ! For bpar - if (include_bpar) then - allocate (bpar2_vs_kxky(naky, nakx)) - call fieldline_average(real(bpar_vs_kykxzt * conjg(bpar_vs_kykxzt)), bpar2_vs_kxky) - call write_kspectra_nc(nout, bpar2_vs_kxky, "bpar2_vs_kxky", "parallel magnetic field fluctuation") - deallocate (bpar2_vs_kxky) - end if - end if + if (write_apar2_vs_kxky .and. include_apar) then + allocate (apar2_vs_kxky(naky, nakx)) + call fieldline_average(real(apar_vs_kykxzt * conjg(apar_vs_kykxzt)), apar2_vs_kxky) + call write_kspectra_nc(nout, apar2_vs_kxky, "apar2_vs_kxky", "parallel vector potential") + deallocate (apar2_vs_kxky) + end if + if (write_bpar2_vs_kxky .and. include_bpar) then + allocate (bpar2_vs_kxky(naky, nakx)) + call fieldline_average(real(bpar_vs_kykxzt * conjg(bpar_vs_kykxzt)), bpar2_vs_kxky) + call write_kspectra_nc(nout, bpar2_vs_kxky, "bpar2_vs_kxky", "parallel magnetic field fluctuation") + deallocate (bpar2_vs_kxky) + end if end if diff --git a/STELLA_CODE/grids/zgrid.f90 b/STELLA_CODE/grids/zgrid.f90 index bca11e55b0..cd1c3dcbbb 100644 --- a/STELLA_CODE/grids/zgrid.f90 +++ b/STELLA_CODE/grids/zgrid.f90 @@ -88,24 +88,32 @@ subroutine read_parameters text_option('periodic', boundary_option_self_periodic), & text_option('linked', boundary_option_linked), & text_option('stellarator', boundary_option_linked_stellarator)/) - + + ! Variables in the namelist namelist /zgrid_parameters/ nzed, nperiod, ntubes, & shat_zero, boundary_option, zed_equal_arc, & grad_x_grad_y_zero, dkx_over_dky + ! Load the default values of the variables call set_default_parameters() + + ! Load the values set in the input file in_file = input_unit_exist("zgrid_parameters", exist) if (exist) read (unit=in_file, nml=zgrid_parameters) - ierr = error_unit() + + ! Change the text of to an integer + ! Note that boundary_option may be changed to self-periodic later, + ! if magnetic shear or nabla x cdot nabla y is smaller than shat_zero or grad_x_grad_y_zero call get_option_value & (boundary_option, boundaryopts, boundary_option_switch, & ierr, "boundary_option in dist_fn_knobs") + + ! Make sure is an even integer, otherwise the potential explodes + if (MOD(nzed,2) .eq. 1) nzed = nzed + 1 - ! note that boundary_option may be changed to self-periodic later - ! if magnetic shear or nabla x \cdot nabla y is smaller than shat_zero or grad_x_grad_y_zero - ! cannot do this here as these quantities have yet to be input - + ! specifies the grid points left and right of z=0 in a single segment + ! whereas is the total number of grid points nzgrid = nzed / 2 + (nperiod - 1) * nzed ! force use of equal arc grid to ensure gradpar alpha-independent @@ -122,16 +130,19 @@ subroutine set_default_parameters() nperiod = 1 ntubes = 1 boundary_option = 'default' + ! if zed_equal_arc = T, then zed is chosen to be arc length ! if zed_equal_arc = F, then zed is poloidal (axisymmetric) ! or zeta (toroidal) angle zed_equal_arc = .false. - ! set minimum shat value below which we assume - ! periodic BC + + ! set minimum shat value below which we assume periodic BC shat_zero = 1.e-5 + ! set the minimum nabla x . nabla value at the end of the FT which we assume ! periodic BC instead of the stellarator symmetric ones grad_x_grad_y_zero = 1.e-5 + ! set the ratio between dkx and dky, assuming jtwist = 1. ! if it is < 0, the code will just use the nfield_periods in the input file dkx_over_dky = -1 diff --git a/STELLA_CODE/gyrokinetic_terms/response_matrix.fpp b/STELLA_CODE/gyrokinetic_terms/response_matrix.fpp index 1ab662f6ae..52a6781c8f 100644 --- a/STELLA_CODE/gyrokinetic_terms/response_matrix.fpp +++ b/STELLA_CODE/gyrokinetic_terms/response_matrix.fpp @@ -125,6 +125,7 @@ contains end subroutine setup_response_matrix_file_io +#ifdef ISO_C_BINDING subroutine setup_shared_memory_window use mpi @@ -168,6 +169,7 @@ contains end if end subroutine setup_shared_memory_window +#endif subroutine construct_response_matrix diff --git a/STELLA_CODE/parameters/parameters_diagnostics.f90 b/STELLA_CODE/parameters/parameters_diagnostics.f90 index c8b265c348..b7f9cb4ab3 100644 --- a/STELLA_CODE/parameters/parameters_diagnostics.f90 +++ b/STELLA_CODE/parameters/parameters_diagnostics.f90 @@ -19,7 +19,11 @@ module parameters_diagnostics ! Write potential in public :: write_phi_vs_kxkyz + public :: write_apar_vs_kxkyz + public :: write_bpar_vs_kxkyz public :: write_phi2_vs_kxky + public :: write_apar2_vs_kxky + public :: write_bpar2_vs_kxky ! Write omega in public :: write_omega_vs_kxky @@ -62,7 +66,11 @@ module parameters_diagnostics ! Write potential in logical :: write_phi_vs_kxkyz + logical :: write_apar_vs_kxkyz + logical :: write_bpar_vs_kxkyz logical :: write_phi2_vs_kxky + logical :: write_apar2_vs_kxky + logical :: write_bpar2_vs_kxky ! Write omega in logical :: write_omega_vs_kxky @@ -216,6 +224,124 @@ subroutine read_diagnostics_knobs contains + !********************************************************************** + ! SET DEFAULT PARAMETERS ! + !********************************************************************** + ! Write the time traces by default, while we will not write any higher + ! dimensional data by default to have a small netCDF file. + !********************************************************************** + subroutine set_default_parameters + + use parameters_physics, only: radial_variation + use parameters_physics, only: nonlinear + + implicit none + + ! Track code + if (debug) write (*, *) 'read_diagnostics_parameters::set_default_parameters' + + ! Write data to the ascii files at every time steps. + ! Write data to the netcdf file every time steps. + nwrite = 50 + nc_mult = 1 + + ! Save gvmu(vpa, nmu, i[s,kx,ky,z]) at every time steps so that we can restart the simulation. + ! From we can calculate through quasi-neutrality, so is all that we need to save. + save_for_restart = .false. + nsave = -1 + + ! Togggle all write statements together + write_all = .false. + + !------------------------------ + ! Potential ! + !------------------------------ + + ! Write phi2(t), apar2(t), bpar2(t), phi(kx,ky,z), phi2(kx,ky) + write_phi2_vs_time = .true. + write_apar2_vs_time = .true. + write_bpar2_vs_time = .true. + write_phi_vs_kxkyz = .false. + write_apar_vs_kxkyz = .false. + write_bpar_vs_kxkyz = .false. + write_phi2_vs_kxky = .false. + write_apar2_vs_kxky = .false. + write_bpar2_vs_kxky = .false. + + !------------------------------ + ! Distribution function ! + !------------------------------ + + ! Write the distribution functions g, h and f + ! Note that these arrays are very large + write_g2_vs_vpamus = .false. + write_g2_vs_zvpas = .false. + write_g2_vs_zmus = .false. + write_g2_vs_kxkyzs = .false. + write_g2_vs_zvpamus = .false. + write_distribution_g = .true. + write_distribution_h = .false. + write_distribution_f = .false. + + !------------------------------ + ! Omega ! + !------------------------------ + + ! For linear simulations write omega by default + write_omega_vs_kxky = .not. nonlinear + + ! We calculate running averages for omega over time points + write_omega_avg_vs_kxky = .false. + navg = 50 + + ! Stop linear simulations when gamma is constant (careful since we won't catch jumpers!) + ! It will check the growth rate gamma over time steps, hence we need + ! over the last time steps, written by + autostop = .false. + + !------------------------------ + ! Fluxes ! + !------------------------------ + + ! Write the particle flux, heat flux and momentum flux + write_fluxes_vs_time = .true. + write_fluxes_kxkyz = .false. + write_fluxes_kxky = .false. + + ! Flux definition with an extra factor 1/ in front. + ! Toggle to include or not include the factor 1/<∇̃ρ>_ψ in the flux definition + flux_norm = .true. + + !------------------------------ + ! Moments ! + !------------------------------ + + ! Write the density, temperature and upar + write_moments = .false. + + !------------------------------ + ! Radial variation ! + !------------------------------ + + ! If = True, automatically write the corresponding data + write_radial_fluxes = radial_variation + write_radial_moments = radial_variation + + !------------------------------ + ! Backwards compatibility ! + !------------------------------ + + ! Backwards compatibility, these flags have been removed + write_phi_vs_time = .false. + write_apar_vs_time = .false. + write_bpar_vs_time = .false. + write_gvmus = .false. + write_gzvs = .false. + write_kspectra = .false. + write_omega = .false. + + end subroutine set_default_parameters + !********************************************************************** ! READ INPUT FILE ! !********************************************************************** @@ -239,10 +365,15 @@ subroutine read_input_file ! and mp_abort if is in the input file namelist /diagnostics/ nwrite, navg, nsave, autostop, save_for_restart, flux_norm, nc_mult, & write_phi2_vs_time, write_apar2_vs_time, write_bpar2_vs_time, write_fluxes_vs_time, & - write_phi_vs_kxkyz, write_g2_vs_vpamus, write_g2_vs_zvpas, write_g2_vs_zmus, & + write_phi_vs_kxkyz, write_apar_vs_kxkyz, write_bpar_vs_kxkyz, & + write_g2_vs_vpamus, write_g2_vs_zvpas, write_g2_vs_zmus, & write_g2_vs_kxkyzs, write_g2_vs_zvpamus, write_distribution_g, write_distribution_h, write_distribution_f, & - write_omega_vs_kxky, write_omega_avg_vs_kxky, write_phi2_vs_kxky, write_moments, write_radial_fluxes, & - write_radial_moments, write_fluxes_kxkyz, write_fluxes_kxky, write_all, flux_norm, nc_mult + write_phi2_vs_kxky, write_apar2_vs_kxky, write_bpar2_vs_kxky, & + write_omega_vs_kxky, write_omega_avg_vs_kxky, write_moments, write_radial_fluxes, & + write_radial_moments, write_fluxes_kxkyz, write_fluxes_kxky, write_all, flux_norm, nc_mult, & + ! Backwards compatibility for old stella code + write_omega, write_phi_vs_time, write_apar_vs_time, write_bpar_vs_time, & + write_kspectra, write_gvmus, write_gzvs !------------------------------------------------------------------- @@ -271,7 +402,11 @@ subroutine read_input_file write_omega_vs_kxky = .true. write_omega_avg_vs_kxky = .true. write_phi_vs_kxkyz = .true. + write_apar_vs_kxkyz = .true. + write_bpar_vs_kxkyz = .true. write_phi2_vs_kxky = .true. + write_apar2_vs_kxky = .true. + write_bpar2_vs_kxky = .true. write_moments = .true. write_fluxes_kxkyz = .true. write_fluxes_kxky = .true. @@ -318,9 +453,13 @@ subroutine broadcast_parameters call broadcast(write_all) call broadcast(write_omega_vs_kxky) call broadcast(write_omega_avg_vs_kxky) + call broadcast(write_phi_vs_kxkyz) + call broadcast(write_apar_vs_kxkyz) + call broadcast(write_bpar_vs_kxkyz) call broadcast(write_phi2_vs_kxky) + call broadcast(write_apar2_vs_kxky) + call broadcast(write_bpar2_vs_kxky) call broadcast(write_moments) - call broadcast(write_phi_vs_kxkyz) call broadcast(write_g2_vs_vpamus) call broadcast(write_g2_vs_zvpas) call broadcast(write_g2_vs_zmus) diff --git a/STELLA_CODE/stella.f90 b/STELLA_CODE/stella.f90 index 1fa1e9bf32..9ee1d7ea5c 100644 --- a/STELLA_CODE/stella.f90 +++ b/STELLA_CODE/stella.f90 @@ -511,7 +511,7 @@ subroutine print_header use mp, only: proc0 use parameters_numerical, only: print_extra_info_to_terminal - use parameters_physics, only: include_apar + use parameters_physics, only: include_apar, include_bpar implicit none ! Only print the header on the first processor @@ -523,10 +523,18 @@ subroutine print_header write (*, '(A)') " OVERVIEW OF THE SIMULATION" write (*, '(A)') "############################################################" end if - if (include_apar) then + if (include_apar .and. include_bpar) then + write (*, '(A)') " " + write (*, '(A)') " istep time dt |phi|^2 |apar|^2 |bpar|^2" + write (*, '(A)') "--------------------------------------------------------------------------------" + else if (include_apar) then write (*, '(A)') " " write (*, '(A)') " istep time dt |phi|^2 |apar|^2" write (*, '(A)') "--------------------------------------------------------------------" + else if (include_bpar) then + write (*, '(A)') " " + write (*, '(A)') " istep time dt |phi|^2 |bpar|^2" + write (*, '(A)') "--------------------------------------------------------------------" else write (*, '(A)') " " write (*, '(A)') " istep time dt |phi|^2 " diff --git a/EXTERNALS/utils/CMakeLists.txt b/STELLA_CODE/utils/CMakeLists.txt similarity index 100% rename from EXTERNALS/utils/CMakeLists.txt rename to STELLA_CODE/utils/CMakeLists.txt diff --git a/EXTERNALS/utils/command_line.fpp b/STELLA_CODE/utils/command_line.fpp similarity index 100% rename from EXTERNALS/utils/command_line.fpp rename to STELLA_CODE/utils/command_line.fpp diff --git a/EXTERNALS/utils/constants.fpp b/STELLA_CODE/utils/constants.fpp similarity index 100% rename from EXTERNALS/utils/constants.fpp rename to STELLA_CODE/utils/constants.fpp diff --git a/EXTERNALS/utils/convert.f90 b/STELLA_CODE/utils/convert.f90 similarity index 100% rename from EXTERNALS/utils/convert.f90 rename to STELLA_CODE/utils/convert.f90 diff --git a/EXTERNALS/utils/define.inc b/STELLA_CODE/utils/define.inc similarity index 100% rename from EXTERNALS/utils/define.inc rename to STELLA_CODE/utils/define.inc diff --git a/EXTERNALS/utils/fft_work.f90 b/STELLA_CODE/utils/fft_work.f90 similarity index 100% rename from EXTERNALS/utils/fft_work.f90 rename to STELLA_CODE/utils/fft_work.f90 diff --git a/EXTERNALS/utils/file_utils.fpp b/STELLA_CODE/utils/file_utils.fpp similarity index 100% rename from EXTERNALS/utils/file_utils.fpp rename to STELLA_CODE/utils/file_utils.fpp diff --git a/EXTERNALS/utils/gauss_quad.f90 b/STELLA_CODE/utils/gauss_quad.f90 similarity index 100% rename from EXTERNALS/utils/gauss_quad.f90 rename to STELLA_CODE/utils/gauss_quad.f90 diff --git a/EXTERNALS/utils/job_manage.fpp b/STELLA_CODE/utils/job_manage.fpp similarity index 100% rename from EXTERNALS/utils/job_manage.fpp rename to STELLA_CODE/utils/job_manage.fpp diff --git a/EXTERNALS/utils/linear_solve.f90 b/STELLA_CODE/utils/linear_solve.f90 similarity index 100% rename from EXTERNALS/utils/linear_solve.f90 rename to STELLA_CODE/utils/linear_solve.f90 diff --git a/EXTERNALS/utils/makefile b/STELLA_CODE/utils/makefile similarity index 97% rename from EXTERNALS/utils/makefile rename to STELLA_CODE/utils/makefile index 8c7e56d500..c19b61197c 100644 --- a/EXTERNALS/utils/makefile +++ b/STELLA_CODE/utils/makefile @@ -71,7 +71,7 @@ $(BUILD)/utils.a: $(utils_objects) | $(OBJ) # The -J $(MOD) flag makes sure that the compiler writes the *.mod files to the $(MOD) directory # The -I $(MOD) flag makes sure that the compiler looks for the *.mod files in the $(MOD) directory -MOD_FLAGS_UTILS := -I$(MOD) -J$(MOD) +MOD_FLAGS_UTILS := -I $(MOD) $(MODULE_FLAG) $(MOD) # Pattern rules to compile the scripts # Create *.o files from *.f90 files using the $(FC) compiler diff --git a/EXTERNALS/utils/mp.fpp b/STELLA_CODE/utils/mp.fpp similarity index 100% rename from EXTERNALS/utils/mp.fpp rename to STELLA_CODE/utils/mp.fpp diff --git a/EXTERNALS/utils/mp_lu_decomposition.fpp b/STELLA_CODE/utils/mp_lu_decomposition.fpp similarity index 100% rename from EXTERNALS/utils/mp_lu_decomposition.fpp rename to STELLA_CODE/utils/mp_lu_decomposition.fpp diff --git a/EXTERNALS/utils/mt19937.f90 b/STELLA_CODE/utils/mt19937.f90 similarity index 100% rename from EXTERNALS/utils/mt19937.f90 rename to STELLA_CODE/utils/mt19937.f90 diff --git a/EXTERNALS/utils/netcdf_utils.fpp b/STELLA_CODE/utils/netcdf_utils.fpp similarity index 100% rename from EXTERNALS/utils/netcdf_utils.fpp rename to STELLA_CODE/utils/netcdf_utils.fpp diff --git a/EXTERNALS/utils/ran.fpp b/STELLA_CODE/utils/ran.fpp similarity index 100% rename from EXTERNALS/utils/ran.fpp rename to STELLA_CODE/utils/ran.fpp diff --git a/EXTERNALS/utils/redistribute.f90 b/STELLA_CODE/utils/redistribute.f90 similarity index 100% rename from EXTERNALS/utils/redistribute.f90 rename to STELLA_CODE/utils/redistribute.f90 diff --git a/EXTERNALS/utils/spfunc.fpp b/STELLA_CODE/utils/spfunc.fpp similarity index 100% rename from EXTERNALS/utils/spfunc.fpp rename to STELLA_CODE/utils/spfunc.fpp diff --git a/EXTERNALS/utils/spl.f90 b/STELLA_CODE/utils/spl.f90 similarity index 100% rename from EXTERNALS/utils/spl.f90 rename to STELLA_CODE/utils/spl.f90 diff --git a/EXTERNALS/utils/system_fortran.fpp b/STELLA_CODE/utils/system_fortran.fpp similarity index 100% rename from EXTERNALS/utils/system_fortran.fpp rename to STELLA_CODE/utils/system_fortran.fpp diff --git a/EXTERNALS/utils/text_options.f90 b/STELLA_CODE/utils/text_options.f90 similarity index 100% rename from EXTERNALS/utils/text_options.f90 rename to STELLA_CODE/utils/text_options.f90