diff --git a/.gitignore b/.gitignore index 79664388..ec37337c 100644 --- a/.gitignore +++ b/.gitignore @@ -7,6 +7,7 @@ fort.* *~ *.nc *.nc.* +!golden_record/test_data/wout_ncsx_vacuum.nc *.x *.png *.o diff --git a/examples/coils_vacuum/coils.simple b/examples/coils_vacuum/coils.simple new file mode 120000 index 00000000..326ba132 --- /dev/null +++ b/examples/coils_vacuum/coils.simple @@ -0,0 +1 @@ +/home/ert/code/SIMPLE/golden_record/test_data/coils.c09r00.simple \ No newline at end of file diff --git a/examples/coils_vacuum/simple.in b/examples/coils_vacuum/simple.in new file mode 100644 index 00000000..9f149049 --- /dev/null +++ b/examples/coils_vacuum/simple.in @@ -0,0 +1,15 @@ +&config +trace_time = 0.0001 +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = 1000 +netcdffile = 'wout.nc' +isw_field_type = 5 ! Coils magfie backend (Cartesian GC) +integmode = -1 ! Cash-Karp RK5(4) +npoiper2 = 128 +deterministic = .True. +facE_al = 1000.0 +field_input = 'coils.simple' +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ diff --git a/examples/compare_gc_coils_rk.py b/examples/compare_gc_coils_rk.py new file mode 100644 index 00000000..a950f519 --- /dev/null +++ b/examples/compare_gc_coils_rk.py @@ -0,0 +1,486 @@ +#!/usr/bin/env python3 +"""Compare guiding-center orbits: VMEC vs coils field, RK4 vs Cash–Karp RK. + +This script runs SIMPLE six times: + 1) VMEC GC, fixed-step RK4 (integmode = -2, isw_field_type = 1) + 2) Coils GC, fixed-step RK4 (direct coils) (integmode = -2, isw_field_type = 5) + 3) VMEC GC, adaptive Cash–Karp RK5(4) (integmode = -1, isw_field_type = 1) + 4) Coils GC, adaptive Cash–Karp RK5(4) (integmode = -1, isw_field_type = 5) + 5) Coils GC, fixed-step RK4 (Meiss) (integmode = -2, isw_field_type = 3) + 6) Coils GC, adaptive Cash–Karp RK5(4) (integmode = -1, isw_field_type = 3) + +All runs use VMEC reference coordinates (s, theta, phi) via NetCDF output. +""" + +import os +import sys +import subprocess +from concurrent.futures import ThreadPoolExecutor, as_completed + +import numpy as np + +try: + import netCDF4 as nc +except ImportError: + nc = None + +try: + import matplotlib.pyplot as plt + HAS_MATPLOTLIB = True +except ImportError: + HAS_MATPLOTLIB = False + +try: + # Reuse NCSX data downloader from plot script + from plot_ncsx_vmec_coils import ensure_ncsx_files # type: ignore +except Exception: + ensure_ncsx_files = None + + +def run_simple_subprocess(simple_exe: str, base_dir: str, tag: str, config_text: str) -> None: + """ + Run SIMPLE in a dedicated subdirectory (base_dir/tag) to avoid file clashes. + + This function only runs the code; reading orbits.nc happens separately. + """ + work_dir = os.path.join(base_dir, tag) + os.makedirs(work_dir, exist_ok=True) + + config_path = os.path.join(work_dir, "simple.in") + with open(config_path, "w") as f: + f.write(config_text) + + # Symlink field files from base_dir (they must exist there already) + for fname in ("wout.nc", "coils.simple"): + src = os.path.join(base_dir, fname) + dst = os.path.join(work_dir, fname) + if os.path.exists(src) and not os.path.exists(dst): + os.symlink(src, dst) + + result = subprocess.run( + [simple_exe, config_path], + cwd=work_dir, + capture_output=True, + text=True, + timeout=300, + ) + + if result.returncode != 0: + print(f"SIMPLE run '{tag}' failed") + print("STDOUT:", result.stdout[-2000:] if len(result.stdout) > 2000 else result.stdout) + print("STDERR:", result.stderr[-2000:] if len(result.stderr) > 2000 else result.stderr) + raise RuntimeError(f"SIMPLE run '{tag}' failed with exit code {result.returncode}") + + +def read_orbit(work_dir: str): + """Read s, theta, phi from orbits.nc in work_dir.""" + if nc is None: + print("netCDF4 not available; cannot read orbits.nc") + return None + + orbits_path = os.path.join(work_dir, "orbits.nc") + if not os.path.exists(orbits_path): + print(f"orbits.nc not found in {work_dir}") + return None + + with nc.Dataset(orbits_path, "r") as ds: + s = ds.variables["s"][:, 0] + theta = ds.variables["theta"][:, 0] + phi = ds.variables["phi"][:, 0] + + return {"s": s, "theta": theta, "phi": phi} + + +def main(): + if len(sys.argv) < 2: + work_dir = os.path.join(os.getcwd(), "examples") + else: + work_dir = sys.argv[1] + + work_dir = os.path.abspath(work_dir) + os.makedirs(work_dir, exist_ok=True) + print(f"Working directory: {work_dir}") + + # Ensure required field files exist. Prefer local files; otherwise, + # for NCSX runs, lazily download from STELLOPT via ensure_ncsx_files. + wout_path = os.path.join(work_dir, "wout.nc") + coils_path = os.path.join(work_dir, "coils.simple") + + missing_wout = not os.path.exists(wout_path) + missing_coils = not os.path.exists(coils_path) + + if (missing_wout or missing_coils) and ensure_ncsx_files is not None: + script_dir = os.path.abspath(os.path.dirname(__file__)) + test_data_dir = os.path.join(script_dir, "..", "golden_record", "test_data") + test_data_dir = os.path.abspath(test_data_dir) + os.makedirs(test_data_dir, exist_ok=True) + + ncsx_wout, coils_simple = ensure_ncsx_files(test_data_dir) + + if missing_wout: + if os.path.islink(wout_path) or os.path.exists(wout_path): + os.remove(wout_path) + os.symlink(ncsx_wout, wout_path) + if missing_coils: + if os.path.islink(coils_path) or os.path.exists(coils_path): + os.remove(coils_path) + os.symlink(coils_simple, coils_path) + + for f in ("wout.nc", "coils.simple"): + if not os.path.exists(os.path.join(work_dir, f)): + print(f"Error: Required file {f} not found in {work_dir}") + sys.exit(1) + + trace_time = 1e-4 + # Use a modest number of time steps so the + # six GC runs stay comfortably within the + # test timeout on typical CI hardware. + ntimstep = 400 + facE_al = 1000.0 # Reduce orbit energy by factor 1000 + + # 1) VMEC GC, fixed-step RK4 (no field_input) + vmec_config_rk4 = f"""&config +trace_time = {trace_time} +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = {ntimstep} +netcdffile = 'wout.nc' +isw_field_type = 1 ! VMEC +integmode = -2 ! Fixed-step RK4 in VMEC field +npoiper2 = 64 +deterministic = .True. +facE_al = {facE_al} +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ +""" + + # 2) Coils GC, fixed-step RK4: coils magfie backend in VMEC reference frame + coils_config_rk4 = f"""&config +trace_time = {trace_time} +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = {ntimstep} +netcdffile = 'wout.nc' +isw_field_type = 5 ! Coils magfie backend (VMEC reference coordinates) +integmode = -2 +npoiper2 = 64 +deterministic = .True. +facE_al = {facE_al} +field_input = 'coils.simple' +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ +""" + + # 3) VMEC GC, adaptive Cash–Karp RK5(4) + vmec_config_ck = f"""&config +trace_time = {trace_time} +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = {ntimstep} +netcdffile = 'wout.nc' +isw_field_type = 1 ! VMEC +integmode = -1 ! Adaptive Cash–Karp RK5(4) in VMEC field +npoiper2 = 64 +deterministic = .True. +facE_al = {facE_al} +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ +""" + + # 4) Coils GC, adaptive Cash–Karp RK5(4) + coils_config_ck = f"""&config +trace_time = {trace_time} +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = {ntimstep} +netcdffile = 'wout.nc' +isw_field_type = 5 ! Coils magfie backend (VMEC reference coordinates) +integmode = -1 +npoiper2 = 64 +deterministic = .True. +facE_al = {facE_al} +field_input = 'coils.simple' +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ +""" + + # 5) Coils GC, fixed-step RK4 using Meiss canonical field from coils + meiss_config_rk4 = f"""&config +trace_time = {trace_time} +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = {ntimstep} +netcdffile = 'wout.nc' +isw_field_type = 3 ! Meiss canonical coordinates (coils) +integmode = -2 +npoiper2 = 64 +deterministic = .True. +facE_al = {facE_al} +field_input = 'coils.simple' +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ +""" + + # 6) Coils GC, adaptive Cash–Karp RK5(4) using Meiss canonical field + meiss_config_ck = f"""&config +trace_time = {trace_time} +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = {ntimstep} +netcdffile = 'wout.nc' +isw_field_type = 3 ! Meiss canonical coordinates (coils) +integmode = -1 +npoiper2 = 64 +deterministic = .True. +facE_al = {facE_al} +field_input = 'coils.simple' +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ +""" + simple_exe = os.path.abspath(os.path.join(os.path.dirname(__file__), "..", "build", "simple.x")) + if not os.path.exists(simple_exe): + print(f"Error: SIMPLE executable not found at {simple_exe}") + sys.exit(1) + + # Run all cases in parallel, each in its own subdirectory + configs = { + "vmec_rk4": vmec_config_rk4, + "coils_rk4": coils_config_rk4, + "vmec_ck": vmec_config_ck, + "coils_ck": coils_config_ck, + "meiss_rk4": meiss_config_rk4, + "meiss_ck": meiss_config_ck, + } + + print("Running GC orbits (RK4 and Cash–Karp) in parallel...") + with ThreadPoolExecutor(max_workers=len(configs)) as executor: + futures = { + executor.submit(run_simple_subprocess, simple_exe, work_dir, tag, cfg): tag + for tag, cfg in configs.items() + } + for fut in as_completed(futures): + tag = futures[fut] + try: + fut.result() + except Exception as exc: + print(f"Run '{tag}' failed: {exc}") + sys.exit(1) + + # Read back trajectories + vmec_rk4_traj = read_orbit(os.path.join(work_dir, "vmec_rk4")) + coils_rk4_traj = read_orbit(os.path.join(work_dir, "coils_rk4")) + vmec_ck_traj = read_orbit(os.path.join(work_dir, "vmec_ck")) + coils_ck_traj = read_orbit(os.path.join(work_dir, "coils_ck")) + meiss_rk4_traj = read_orbit(os.path.join(work_dir, "meiss_rk4")) + meiss_ck_traj = read_orbit(os.path.join(work_dir, "meiss_ck")) + + if any( + traj is None + for traj in (vmec_rk4_traj, coils_rk4_traj, vmec_ck_traj, coils_ck_traj, meiss_rk4_traj, meiss_ck_traj) + ): + print("One of the runs failed or produced no orbits; no plot generated") + sys.exit(1) + + if not HAS_MATPLOTLIB: + print("matplotlib not available; not plotting") + sys.exit(0) + + # Mask out NaNs and wrap angles + s_vmec_rk4 = vmec_rk4_traj["s"] + theta_vmec_rk4 = np.mod(vmec_rk4_traj["theta"], 2.0 * np.pi) + phi_vmec_rk4 = np.mod(vmec_rk4_traj["phi"], 2.0 * np.pi) + + s_coils_rk4 = coils_rk4_traj["s"] + theta_coils_rk4 = np.mod(coils_rk4_traj["theta"], 2.0 * np.pi) + phi_coils_rk4 = np.mod(coils_rk4_traj["phi"], 2.0 * np.pi) + + s_vmec_ck = vmec_ck_traj["s"] + theta_vmec_ck = np.mod(vmec_ck_traj["theta"], 2.0 * np.pi) + phi_vmec_ck = np.mod(vmec_ck_traj["phi"], 2.0 * np.pi) + + s_coils_ck = coils_ck_traj["s"] + theta_coils_ck = np.mod(coils_ck_traj["theta"], 2.0 * np.pi) + phi_coils_ck = np.mod(coils_ck_traj["phi"], 2.0 * np.pi) + + s_meiss_rk4 = meiss_rk4_traj["s"] + theta_meiss_rk4 = np.mod(meiss_rk4_traj["theta"], 2.0 * np.pi) + phi_meiss_rk4 = np.mod(meiss_rk4_traj["phi"], 2.0 * np.pi) + + s_meiss_ck = meiss_ck_traj["s"] + theta_meiss_ck = np.mod(meiss_ck_traj["theta"], 2.0 * np.pi) + phi_meiss_ck = np.mod(meiss_ck_traj["phi"], 2.0 * np.pi) + + # Reconstruct physical time from trace_time and number of steps + n_steps = s_vmec_rk4.shape[0] + t_axis = np.linspace(0.0, trace_time, n_steps) + + mask_vmec_rk4 = ~np.isnan(s_vmec_rk4) + mask_coils_rk4 = ~np.isnan(s_coils_rk4) + mask_vmec_ck = ~np.isnan(s_vmec_ck) + mask_coils_ck = ~np.isnan(s_coils_ck) + mask_meiss_rk4 = ~np.isnan(s_meiss_rk4) + mask_meiss_ck = ~np.isnan(s_meiss_ck) + + fig, axes = plt.subplots(3, 1, figsize=(9, 10), sharex=True) + + # Consistent styling: colour encodes field backend, linestyle encodes RK solver. + styles = { + "vmec_rk4": { + "color": "tab:blue", + "linestyle": "-", + "linewidth": 2.0, + "label": "VMEC RK4", + }, + "vmec_ck": { + "color": "tab:blue", + "linestyle": "--", + "linewidth": 1.8, + "label": "VMEC Cash–Karp", + }, + "coils_rk4": { + "color": "tab:orange", + "linestyle": "-", + "linewidth": 2.0, + "label": "Coils RK4", + }, + "coils_ck": { + "color": "tab:orange", + "linestyle": "--", + "linewidth": 1.8, + "label": "Coils Cash–Karp", + }, + "meiss_rk4": { + "color": "tab:green", + "linestyle": "-", + "linewidth": 2.0, + "label": "Meiss RK4", + }, + "meiss_ck": { + "color": "tab:green", + "linestyle": "--", + "linewidth": 1.8, + "label": "Meiss Cash–Karp", + }, + } + + # s coordinate + axes[0].plot( + t_axis[mask_vmec_rk4], + s_vmec_rk4[mask_vmec_rk4], + **styles["vmec_rk4"], + ) + axes[0].plot( + t_axis[mask_vmec_ck], + s_vmec_ck[mask_vmec_ck], + **styles["vmec_ck"], + ) + axes[0].plot( + t_axis[mask_coils_rk4], + s_coils_rk4[mask_coils_rk4], + **styles["coils_rk4"], + ) + axes[0].plot( + t_axis[mask_coils_ck], + s_coils_ck[mask_coils_ck], + **styles["coils_ck"], + ) + axes[0].plot( + t_axis[mask_meiss_rk4], + s_meiss_rk4[mask_meiss_rk4], + **styles["meiss_rk4"], + ) + axes[0].plot( + t_axis[mask_meiss_ck], + s_meiss_ck[mask_meiss_ck], + **styles["meiss_ck"], + ) + axes[0].set_ylabel("s") + axes[0].set_title("Guiding-center RK: VMEC vs coils (VMEC reference coords)") + axes[0].legend(loc="best", ncol=2) + axes[0].grid(True, alpha=0.3) + + # theta coordinate + axes[1].plot( + t_axis[mask_vmec_rk4], + theta_vmec_rk4[mask_vmec_rk4], + **{k: v for k, v in styles["vmec_rk4"].items() if k != "label"}, + ) + axes[1].plot( + t_axis[mask_vmec_ck], + theta_vmec_ck[mask_vmec_ck], + **{k: v for k, v in styles["vmec_ck"].items() if k != "label"}, + ) + axes[1].plot( + t_axis[mask_coils_rk4], + theta_coils_rk4[mask_coils_rk4], + **{k: v for k, v in styles["coils_rk4"].items() if k != "label"}, + ) + axes[1].plot( + t_axis[mask_coils_ck], + theta_coils_ck[mask_coils_ck], + **{k: v for k, v in styles["coils_ck"].items() if k != "label"}, + ) + axes[1].plot( + t_axis[mask_meiss_rk4], + theta_meiss_rk4[mask_meiss_rk4], + **{k: v for k, v in styles["meiss_rk4"].items() if k != "label"}, + ) + axes[1].plot( + t_axis[mask_meiss_ck], + theta_meiss_ck[mask_meiss_ck], + **{k: v for k, v in styles["meiss_ck"].items() if k != "label"}, + ) + axes[1].set_ylabel("theta mod 2π") + axes[1].grid(True, alpha=0.3) + + # phi coordinate + axes[2].plot( + t_axis[mask_vmec_rk4], + phi_vmec_rk4[mask_vmec_rk4], + **{k: v for k, v in styles["vmec_rk4"].items() if k != "label"}, + ) + axes[2].plot( + t_axis[mask_vmec_ck], + phi_vmec_ck[mask_vmec_ck], + **{k: v for k, v in styles["vmec_ck"].items() if k != "label"}, + ) + axes[2].plot( + t_axis[mask_coils_rk4], + phi_coils_rk4[mask_coils_rk4], + **{k: v for k, v in styles["coils_rk4"].items() if k != "label"}, + ) + axes[2].plot( + t_axis[mask_coils_ck], + phi_coils_ck[mask_coils_ck], + **{k: v for k, v in styles["coils_ck"].items() if k != "label"}, + ) + axes[2].plot( + t_axis[mask_meiss_rk4], + phi_meiss_rk4[mask_meiss_rk4], + **{k: v for k, v in styles["meiss_rk4"].items() if k != "label"}, + ) + axes[2].plot( + t_axis[mask_meiss_ck], + phi_meiss_ck[mask_meiss_ck], + **{k: v for k, v in styles["meiss_ck"].items() if k != "label"}, + ) + axes[2].set_ylabel("phi mod 2π") + axes[2].set_xlabel("time") + axes[2].grid(True, alpha=0.3) + + plt.tight_layout() + output_png = os.path.join(work_dir, "gc_vmec_vs_coils_rk.png") + plt.savefig(output_png, dpi=150) + plt.close() + + print(f"Comparison plot written to: {output_png}") + + +if __name__ == "__main__": + main() diff --git a/examples/compare_ncsx_meiss_vmec_ck.py b/examples/compare_ncsx_meiss_vmec_ck.py new file mode 100644 index 00000000..a4128acb --- /dev/null +++ b/examples/compare_ncsx_meiss_vmec_ck.py @@ -0,0 +1,279 @@ +#!/usr/bin/env python3 +""" +Compare NCSX guiding-center orbits: Cash–Karp VMEC vs Meiss (coils). + +This script: + - Ensures the NCSX free-boundary VMEC equilibrium and coils file from + the STELLOPT tutorial are available locally (same URLs as in + test/golden_record/run_golden_tests.sh). + - Runs SIMPLE twice in a dedicated working directory: + * VMEC GC, adaptive Cash–Karp RK5(4) (integmode = -1, isw_field_type = 1) + * Meiss GC from coils, adaptive Cash–Karp RK5(4) + (integmode = -1, isw_field_type = 3, field_input = 'coils.simple') + - Both runs use the same NCSX wout and coils files in VMEC reference + coordinates. + - Reads orbits.nc from both runs and plots s, theta mod 2π, phi mod 2π + vs time for visual comparison. +""" + +import os +import sys +import subprocess + +import numpy as np + +try: + import netCDF4 as nc +except ImportError: + nc = None + +try: + import matplotlib.pyplot as plt + HAS_MATPLOTLIB = True +except ImportError: + HAS_MATPLOTLIB = False + + +NCSX_WOUT_URL = ( + "https://github.com/hiddenSymmetries/simsopt/raw/master/" + "tests/test_files/wout_c09r00_fixedBoundary_0.5T_vacuum_ns201.nc" +) + +NCSX_COILS_URL = ( + "https://princetonuniversity.github.io/STELLOPT/examples/coils.c09r00" +) + + +def ensure_ncsx_files(test_data_dir: str): + """ + Ensure NCSX wout_ncsx.nc and coils.c09r00.simple exist in test_data_dir. + + Returns (wout_path, coils_simple_path). + """ + from urllib.request import urlretrieve + + os.makedirs(test_data_dir, exist_ok=True) + + wout_ncsx = os.path.join(test_data_dir, "wout_ncsx.nc") + coils_stellopt = os.path.join(test_data_dir, "coils.c09r00") + coils_simple = os.path.join(test_data_dir, "coils.c09r00.simple") + + if not os.path.exists(wout_ncsx): + print(f"Downloading NCSX wout: {NCSX_WOUT_URL}") + urlretrieve(NCSX_WOUT_URL, wout_ncsx) + + if not os.path.exists(coils_simple): + if not os.path.exists(coils_stellopt): + print(f"Downloading NCSX coils: {NCSX_COILS_URL}") + urlretrieve(NCSX_COILS_URL, coils_stellopt) + + # Convert STELLOPT coils file to SIMPLE's coils.simple format + print("Converting NCSX coils to SIMPLE format (coils.c09r00.simple)") + coords = [] + currents = [] + in_filament = False + with open(coils_stellopt, "r") as f: + for line in f: + line = line.strip() + lower = line.lower() + if "begin filament" in lower: + in_filament = True + continue + if not in_filament or not line or line.startswith("#"): + continue + parts = line.split() + if len(parts) < 4: + continue + try: + x, y, z, I = map(float, parts[:4]) + except ValueError: + continue + coords.append((x, y, z)) + currents.append(I) + if not coords: + raise RuntimeError("No filament coordinates found in coils.c09r00") + with open(coils_simple, "w") as f: + f.write(f"{len(coords)}\n") + for (x, y, z), I in zip(coords, currents): + f.write(f"{x:.14E} {y:.14E} {z:.14E} {I:.14E}\n") + + return wout_ncsx, coils_simple + + +def run_simple(simple_exe: str, work_dir: str, tag: str, config_text: str) -> None: + """ + Run SIMPLE in work_dir/tag with the given namelist config. + """ + run_dir = os.path.join(work_dir, tag) + os.makedirs(run_dir, exist_ok=True) + + cfg_path = os.path.join(run_dir, "simple.in") + with open(cfg_path, "w") as f: + f.write(config_text) + + # Link field files from work_dir + for fname in ("wout.nc", "coils.simple"): + src = os.path.join(work_dir, fname) + dst = os.path.join(run_dir, fname) + if os.path.exists(src) and not os.path.exists(dst): + os.symlink(src, dst) + + print(f"Running SIMPLE [{tag}] in {run_dir}") + res = subprocess.run( + [simple_exe, cfg_path], + cwd=run_dir, + capture_output=True, + text=True, + timeout=1800, + ) + if res.returncode != 0: + print(f"SIMPLE run '{tag}' failed") + print("STDOUT:", res.stdout[-2000:] if len(res.stdout) > 2000 else res.stdout) + print("STDERR:", res.stderr[-2000:] if len(res.stderr) > 2000 else res.stderr) + raise RuntimeError(f"SIMPLE run '{tag}' failed with exit code {res.returncode}") + + +def read_orbit(orbits_path: str): + """ + Read s, theta, phi, time from orbits.nc (first particle). + """ + if nc is None: + raise RuntimeError("netCDF4 is not available") + if not os.path.exists(orbits_path): + raise FileNotFoundError(orbits_path) + + with nc.Dataset(orbits_path, "r") as ds: + s = ds.variables["s"][:, 0] + theta = ds.variables["theta"][:, 0] + phi = ds.variables["phi"][:, 0] + t = ds.variables["time"][:, 0] + return t, s, theta, phi + + +def main(): + script_dir = os.path.abspath(os.path.dirname(__file__)) + repo_root = os.path.abspath(os.path.join(script_dir, "..")) + + if len(sys.argv) > 1: + work_dir = os.path.abspath(sys.argv[1]) + else: + work_dir = os.path.join(repo_root, "build", "test", "ncsx_meiss_vmec_ck") + os.makedirs(work_dir, exist_ok=True) + print(f"Working directory: {work_dir}") + + # Ensure NCSX wout and coils from STELLOPT exist under golden_record test_data + test_data_dir = os.path.join(repo_root, "golden_record", "test_data") + wout_ncsx, coils_simple = ensure_ncsx_files(test_data_dir) + + # Link them into work_dir as wout.nc and coils.simple + wout_link = os.path.join(work_dir, "wout.nc") + coils_link = os.path.join(work_dir, "coils.simple") + for src, dst in ((wout_ncsx, wout_link), (coils_simple, coils_link)): + if os.path.islink(dst) or os.path.exists(dst): + os.remove(dst) + os.symlink(src, dst) + + simple_exe = os.path.join(repo_root, "build", "simple.x") + if not os.path.exists(simple_exe): + print(f"Error: SIMPLE executable not found at {simple_exe}") + sys.exit(1) + + trace_time = 1e-4 + ntimstep = 1000 + facE_al = 1000.0 + + vmec_ck_cfg = f"""&config +trace_time = {trace_time} +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = {ntimstep} +netcdffile = 'wout.nc' +isw_field_type = 1 ! VMEC +integmode = -1 ! Cash–Karp RK5(4) +npoiper2 = 128 +deterministic = .True. +facE_al = {facE_al} +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ +""" + + meiss_ck_cfg = f"""&config +trace_time = {trace_time} +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = {ntimstep} +netcdffile = 'wout.nc' +isw_field_type = 3 ! Meiss canonical coordinates +integmode = -1 ! Cash–Karp RK5(4) +npoiper2 = 128 +deterministic = .True. +facE_al = {facE_al} +field_input = 'coils.simple' +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ +""" + + # Run both cases + run_simple(simple_exe, work_dir, "vmec_ck", vmec_ck_cfg) + run_simple(simple_exe, work_dir, "meiss_ck", meiss_ck_cfg) + + # Read trajectories + t_vmec, s_vmec, th_vmec, ph_vmec = read_orbit(os.path.join(work_dir, "vmec_ck", "orbits.nc")) + t_meiss, s_meiss, th_meiss, ph_meiss = read_orbit(os.path.join(work_dir, "meiss_ck", "orbits.nc")) + + if not np.allclose(t_vmec, t_meiss): + print("Warning: time axes differ between VMEC and Meiss; plotting VMEC times only") + t_axis = t_vmec + + if not HAS_MATPLOTLIB: + print("matplotlib not available; cannot plot") + sys.exit(0) + + # Wrap angles + th_vmec_mod = np.mod(th_vmec, 2.0 * np.pi) + ph_vmec_mod = np.mod(ph_vmec, 2.0 * np.pi) + th_meiss_mod = np.mod(th_meiss, 2.0 * np.pi) + ph_meiss_mod = np.mod(ph_meiss, 2.0 * np.pi) + + mask_vmec = ~np.isnan(s_vmec) + mask_meiss = ~np.isnan(s_meiss) + + fig, axes = plt.subplots(3, 1, figsize=(8, 10), sharex=True) + + axes[0].plot(t_axis[mask_vmec], s_vmec[mask_vmec], + color="C0", linestyle="-", linewidth=1.8, label="VMEC Cash–Karp") + axes[0].plot(t_axis[mask_meiss], s_meiss[mask_meiss], + color="C1", linestyle="--", linewidth=1.8, label="Meiss(coils) Cash–Karp") + axes[0].set_ylabel("s") + axes[0].set_title("NCSX: GC Cash–Karp, VMEC vs Meiss (coils)") + axes[0].legend() + axes[0].grid(True, alpha=0.3) + + axes[1].plot(t_axis[mask_vmec], th_vmec_mod[mask_vmec], + color="C0", linestyle="-", linewidth=1.8) + axes[1].plot(t_axis[mask_meiss], th_meiss_mod[mask_meiss], + color="C1", linestyle="--", linewidth=1.8) + axes[1].set_ylabel("theta mod 2π") + axes[1].grid(True, alpha=0.3) + + axes[2].plot(t_axis[mask_vmec], ph_vmec_mod[mask_vmec], + color="C0", linestyle="-", linewidth=1.8) + axes[2].plot(t_axis[mask_meiss], ph_meiss_mod[mask_meiss], + color="C1", linestyle="--", linewidth=1.8) + axes[2].set_ylabel("phi mod 2π") + axes[2].set_xlabel("time") + axes[2].grid(True, alpha=0.3) + + plt.tight_layout() + out_png = os.path.join(work_dir, "gc_meiss_vs_vmec_ncsx_ck.png") + plt.savefig(out_png, dpi=150) + plt.close() + + print(f"Comparison plot written to: {out_png}") + + +if __name__ == "__main__": + main() + diff --git a/examples/meiss_vacuum/coils.simple b/examples/meiss_vacuum/coils.simple new file mode 120000 index 00000000..326ba132 --- /dev/null +++ b/examples/meiss_vacuum/coils.simple @@ -0,0 +1 @@ +/home/ert/code/SIMPLE/golden_record/test_data/coils.c09r00.simple \ No newline at end of file diff --git a/examples/meiss_vacuum/simple.in b/examples/meiss_vacuum/simple.in new file mode 100644 index 00000000..32da9dd2 --- /dev/null +++ b/examples/meiss_vacuum/simple.in @@ -0,0 +1,15 @@ +&config +trace_time = 0.0001 +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = 1000 +netcdffile = 'wout.nc' +isw_field_type = 3 ! Meiss canonical coordinates +integmode = -1 ! Cash-Karp RK5(4) +npoiper2 = 128 +deterministic = .True. +facE_al = 1000.0 +field_input = 'coils.simple' +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ diff --git a/examples/meiss_vmec_vacuum/simple.in b/examples/meiss_vmec_vacuum/simple.in new file mode 100644 index 00000000..5c9b1d55 --- /dev/null +++ b/examples/meiss_vmec_vacuum/simple.in @@ -0,0 +1,14 @@ +&config +trace_time = 0.0001 +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = 1000 +netcdffile = 'wout.nc' +isw_field_type = 3 ! Meiss canonical coordinates (from VMEC, not coils) +integmode = -1 ! Cash-Karp RK5(4) +npoiper2 = 128 +deterministic = .True. +facE_al = 1000.0 +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ diff --git a/examples/plot_ncsx_vmec_coils.py b/examples/plot_ncsx_vmec_coils.py new file mode 100644 index 00000000..cf170762 --- /dev/null +++ b/examples/plot_ncsx_vmec_coils.py @@ -0,0 +1,254 @@ +#!/usr/bin/env python3 +""" +Diagnostic plot of the NCSX VMEC equilibrium with coils overlaid. + +This script: + - Ensures the NCSX VMEC equilibrium and coils files exist in a repo-relative + test-data directory (golden_record/test_data). + - Downloads and converts the STELLOPT coils file to SIMPLE format if needed. + - Plots a poloidal cross-section of the VMEC surface together with the + corresponding coil cross-section. + +Output: + golden_record/test_data/ncsx_equilibrium_with_coils.png +""" + +import math +import os +import sys +from typing import Tuple + +import numpy as np + +try: + import netCDF4 as nc +except ImportError: + print("Error: netCDF4 is required to read wout_ncsx.nc", file=sys.stderr) + sys.exit(1) + +try: + import matplotlib.pyplot as plt +except ImportError: + print("Error: matplotlib is required to generate plots", file=sys.stderr) + sys.exit(1) + +try: + from urllib.request import urlretrieve +except ImportError: + print("Error: urllib.request not available for downloads", file=sys.stderr) + sys.exit(1) + + +NCSX_WOUT_URL = ( + "https://github.com/hiddenSymmetries/simsopt/raw/master/tests/test_files/" + "wout_c09r00_fixedBoundary_0.5T_vacuum_ns201.nc" +) +NCSX_COILS_URL = ( + "https://princetonuniversity.github.io/STELLOPT/examples/coils.c09r00" +) + + +def _project_root() -> str: + """Return SIMPLE project root (one level above this script).""" + here = os.path.abspath(os.path.dirname(__file__)) + return os.path.abspath(os.path.join(here, os.pardir)) + + +def ensure_ncsx_files(test_data_dir: str) -> Tuple[str, str]: + """ + Ensure NCSX VMEC and coils files exist in test_data_dir. + + Returns paths to (wout_ncsx.nc, coils.c09r00.simple). + """ + os.makedirs(test_data_dir, exist_ok=True) + + wout_path = os.path.join(test_data_dir, "wout_ncsx.nc") + coils_simple_path = os.path.join(test_data_dir, "coils.c09r00.simple") + coils_stellopt_path = os.path.join(test_data_dir, "coils.c09r00") + + if not os.path.exists(wout_path): + print(f"Downloading NCSX wout: {NCSX_WOUT_URL}") + urlretrieve(NCSX_WOUT_URL, wout_path) + + if not os.path.exists(coils_simple_path): + if not os.path.exists(coils_stellopt_path): + print(f"Downloading NCSX coils: {NCSX_COILS_URL}") + urlretrieve(NCSX_COILS_URL, coils_stellopt_path) + print("Converting coils.c09r00 -> coils.c09r00.simple") + convert_coils_to_simple(coils_stellopt_path, coils_simple_path) + + return wout_path, coils_simple_path + + +def convert_coils_to_simple(src_path: str, dst_path: str) -> None: + """ + Convert STELLOPT coils file to SIMPLE coils format. + + SIMPLE format: + line 1: integer N (number of points) + next N lines: x y z I + """ + coords = [] + currents = [] + in_filament = False + + with open(src_path, "r") as f: + for line in f: + line = line.strip() + if not line: + continue + lower = line.lower() + if "begin filament" in lower: + in_filament = True + continue + if not in_filament or line.startswith("#"): + continue + parts = line.split() + if len(parts) < 4: + continue + try: + x, y, z, I = map(float, parts[:4]) + except ValueError: + continue + coords.append((x, y, z)) + currents.append(I) + + if not coords: + raise RuntimeError( + f"No coil points found while converting {src_path} to SIMPLE format" + ) + + with open(dst_path, "w") as f: + f.write(f"{len(coords)}\n") + for (x, y, z), I in zip(coords, currents): + f.write(f"{x:.14E} {y:.14E} {z:.14E} {I:.14E}\n") + + +def load_vmec_poloidal_section(wout_path: str, s_index: int = None, n_theta: int = 400): + """ + Load a poloidal cross-section (R(θ), Z(θ)) at φ = 0 from a VMEC wout file. + + Uses standard Fourier representation: + R(s, θ, φ) = sum_mn rmnc(s, mn) * cos(m θ - n Nfp φ) + Z(s, θ, φ) = sum_mn zmns(s, mn) * sin(m θ - n Nfp φ) + At φ = 0 the dependence on n drops out. + """ + with nc.Dataset(wout_path, "r") as ds: + rmnc = ds.variables["rmnc"][:] # (radius, mn_mode) + zmns = ds.variables["zmns"][:] # (radius, mn_mode) + xm = ds.variables["xm"][:] # (mn_mode,) + # xn is not needed at φ = 0 + + ns = rmnc.shape[0] + if s_index is None: + s_index = ns // 2 + + if s_index < 0 or s_index >= ns: + raise ValueError(f"s_index {s_index} out of range [0, {ns-1}]") + + rmnc_s = rmnc[s_index, :] + zmns_s = zmns[s_index, :] + + theta = np.linspace(0.0, 2.0 * math.pi, n_theta, endpoint=True) + # angles shape: (n_theta, mn_mode) + angles = np.outer(theta, xm) + + R = np.cos(angles) @ rmnc_s + Z = np.sin(angles) @ zmns_s + + return R, Z + + +def load_coils_cross_section(coils_simple_path: str, phi_tolerance: float = 0.05): + """ + Load coil points from a SIMPLE coils file and return a cross-section near φ = 0. + + Returns arrays (R_coils, Z_coils). + """ + with open(coils_simple_path, "r") as f: + header = f.readline() + try: + npts = int(header.strip().split()[0]) + except Exception: + raise RuntimeError( + f"First line of {coils_simple_path!r} must contain number of points" + ) + + xs = [] + ys = [] + zs = [] + for i in range(npts): + line = f.readline() + if not line: + break + parts = line.split() + if len(parts) < 3: + continue + try: + x, y, z = map(float, parts[:3]) + except ValueError: + continue + xs.append(x) + ys.append(y) + zs.append(z) + + xs = np.asarray(xs, dtype=float) + ys = np.asarray(ys, dtype=float) + zs = np.asarray(zs, dtype=float) + + R = np.sqrt(xs * xs + ys * ys) + phi = np.arctan2(ys, xs) + Z = zs + + # Select points near φ = 0 (mod 2π) + phi_mod = np.mod(phi + math.pi, 2.0 * math.pi) - math.pi + mask = np.abs(phi_mod) < phi_tolerance + + return R[mask], Z[mask] + + +def main(argv=None): + if argv is None: + argv = sys.argv[1:] + + root = _project_root() + if len(argv) >= 1: + test_data_dir = os.path.abspath(argv[0]) + else: + test_data_dir = os.path.join(root, "golden_record", "test_data") + + print(f"Using test data directory: {test_data_dir}") + + wout_path, coils_simple_path = ensure_ncsx_files(test_data_dir) + + print(f"VMEC file: {wout_path}") + print(f"Coils file: {coils_simple_path}") + + R_vmec, Z_vmec = load_vmec_poloidal_section(wout_path) + R_coils, Z_coils = load_coils_cross_section(coils_simple_path) + + fig, ax = plt.subplots(figsize=(6, 6)) + ax.plot(R_vmec, Z_vmec, "b-", label="VMEC surface (s ~ mid)") + if R_coils.size > 0: + ax.scatter(R_coils, Z_coils, s=10, c="r", marker="o", label="Coils cross-section") + else: + print("Warning: no coil points near φ = 0 found for cross-section") + + ax.set_xlabel("R") + ax.set_ylabel("Z") + ax.set_aspect("equal", adjustable="box") + ax.grid(True, alpha=0.3) + ax.set_title("NCSX VMEC equilibrium with coils (poloidal cross-section)") + ax.legend() + + output_path = os.path.join(test_data_dir, "ncsx_equilibrium_with_coils.png") + plt.tight_layout() + plt.savefig(output_path, dpi=150) + plt.close(fig) + + print(f"Diagnostic plot written to: {output_path}") + + +if __name__ == "__main__": + main() + diff --git a/examples/vmec_vacuum/coils.simple b/examples/vmec_vacuum/coils.simple new file mode 120000 index 00000000..326ba132 --- /dev/null +++ b/examples/vmec_vacuum/coils.simple @@ -0,0 +1 @@ +/home/ert/code/SIMPLE/golden_record/test_data/coils.c09r00.simple \ No newline at end of file diff --git a/examples/vmec_vacuum/simple.in b/examples/vmec_vacuum/simple.in new file mode 100644 index 00000000..db9a8fb5 --- /dev/null +++ b/examples/vmec_vacuum/simple.in @@ -0,0 +1,14 @@ +&config +trace_time = 0.0001 +sbeg = 0.6d0 +ntestpart = 1 +ntimstep = 1000 +netcdffile = 'wout.nc' +isw_field_type = 1 ! VMEC +integmode = -1 ! Cash-Karp RK5(4) +npoiper2 = 128 +deterministic = .True. +facE_al = 1000.0 +contr_pp = -1000d0 +output_orbits_macrostep = .True. +/ diff --git a/golden_record/test_data/coils.c09r00 b/golden_record/test_data/coils.c09r00 new file mode 100644 index 00000000..eae0f495 --- /dev/null +++ b/golden_record/test_data/coils.c09r00 @@ -0,0 +1,18695 @@ +periods 3 +begin filament +mirror NIL + 2.37349213525007E+00 5.08707161031493E-01 0.00000000000000E+00 6.52271941985300E+05 + 2.37704663022902E+00 5.03698827972622E-01 -1.71575001036786E-02 6.52271941985300E+05 + 2.38064289313714E+00 4.97900976817829E-01 -3.40560223451057E-02 6.52271941985300E+05 + 2.38424000556975E+00 4.91393514121422E-01 -5.06942718548110E-02 6.52271941985300E+05 + 2.38779889031241E+00 4.84253387220152E-01 -6.70795899666555E-02 6.52271941985300E+05 + 2.39128424757806E+00 4.76549775938554E-01 -8.32238770997344E-02 6.52271941985300E+05 + 2.39467097784607E+00 4.68333577488981E-01 -9.91348590512156E-02 6.52271941985300E+05 + 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2.75395430274200E-01 4.55138737653200E+04 +2.67952419994200E+00 -4.72472411911100E-01 2.06546572325700E-01 4.55138737653200E+04 +2.67952419994200E+00 -4.72472411911100E-01 1.37697714883800E-01 4.55138737653200E+04 +2.67952419994200E+00 -4.72472411911100E-01 6.88488574419000E-02 4.55138737653200E+04 +2.67952419994200E+00 -4.72472411911100E-01 0.00000000000000E+00 0.00000000000000E+00 diff --git a/golden_record/test_data/vmec_vacuum_c09r00/input.ncsx_vacuum b/golden_record/test_data/vmec_vacuum_c09r00/input.ncsx_vacuum new file mode 100644 index 00000000..817b2516 --- /dev/null +++ b/golden_record/test_data/vmec_vacuum_c09r00/input.ncsx_vacuum @@ -0,0 +1,120 @@ +&INDATA +! NCSX vacuum equilibrium (beta=0) for comparison with coils field +! Generated from finite-beta input by zeroing pressure and current + MGRID_FILE = 'mgrid_c09r00.nc' + LFREEB = T + DELT = 9.00E-01 + TCON0 = 2.00E+00 + NFP = 3 + NCURR = 0 + MPOL = 11 NTOR = 6 + NZETA = 36 + NS_ARRAY = 9 29 49 99 + NITER = 10000 + NSTEP = 200 + NVACSKIP = 6 + GAMMA = 0.000000E+00 + FTOL_ARRAY = + 1.000000E-06 1.000000E-08 1.000000E-10 1.00E-12 + PHIEDGE = 4.97070205837336E-01 + BLOAT = 1.000000E+00 + EXTCUR = 6.52271941985300E+05 6.51868569367400E+05 + 5.37743588647300E+05 2.50000000000000E-07 2.50000000000000E-07 + 2.80949750000000E+04 + -5.48049500000000E+04 3.01228950000000E+04 9.42409100000000E+04 + 4.55138737653200E+04 + CURTOR = 0.000000E+00 + SPRES_PED = 1.00000000000000E+00 + AM = 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 + AI = 0.40 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 + AC = 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 + RAXIS = 1.49569454253276E+00 1.05806400912320E-01 7.21255454715878E-03 -3.87402652289249E-04 + -2.02425864534069E-04 -1.62602353744308E-04 -8.89569831063077E-06 + ZAXIS = 0.00000000000000E+00 -5.19492027001782E-02 -3.18814224021375E-03 2.26199929262002E-04 + 1.28803681387330E-04 1.11266150452637E-06 1.13732703961869E-05 + RBC(0,0) = 1.40941668895656E+00 ZBS(0,0) = 0.00000000000000E+00 + RBC(1,0) = 2.79226697269945E-02 ZBS(1,0) = -1.92433268059631E-02 + RBC(2,0) = -1.54739398509667E-03 ZBS(2,0) = 1.11459511078088E-02 + RBC(3,0) = 2.90733840104882E-03 ZBS(3,0) = -3.97869471888770E-03 + RBC(4,0) = -8.91322016448873E-04 ZBS(4,0) = 1.34394804673514E-03 + RBC(5,0) = -7.81997770407839E-05 ZBS(5,0) = -1.57143910159387E-04 + RBC(6,0) = 1.06129711928351E-04 ZBS(6,0) = 9.58024291307491E-05 + RBC(-6,1) = 2.48228899767757E-05 ZBS(-6,1) = -2.28386224209054E-05 + RBC(-5,1) = 8.23567667077671E-05 ZBS(-5,1) = 3.30176003890210E-04 + RBC(-4,1) = -7.20220898033597E-04 ZBS(-4,1) = 1.28038328362904E-04 + RBC(-3,1) = 2.76250777733235E-03 ZBS(-3,1) = 3.43199911886317E-04 + RBC(-2,1) = -1.24883373588382E-02 ZBS(-2,1) = 6.12174680232785E-04 + RBC(-1,1) = 1.52272804511910E-02 ZBS(-1,1) = -2.70066914159594E-02 + RBC(0,1) = 2.89195233044040E-01 ZBS(0,1) = 4.50462554508443E-01 + RBC(1,1) = -1.17988850341728E-01 ZBS(1,1) = 1.93490230971634E-01 + RBC(2,1) = -3.84923299492945E-03 ZBS(2,1) = 5.72865331625290E-03 + RBC(3,1) = -1.44452305429529E-03 ZBS(3,1) = 2.19788951889214E-03 + RBC(4,1) = -2.11622985211109E-04 ZBS(4,1) = 1.31883972780290E-03 + RBC(5,1) = 1.79091719677667E-04 ZBS(5,1) = -5.63363462408534E-04 + RBC(6,1) = 1.31982402741742E-04 ZBS(6,1) = -9.31801467009349E-05 + RBC(-6,2) = -2.40882614870476E-05 ZBS(-6,2) = -3.95416405717970E-05 + RBC(-5,2) = -4.92449386382591E-05 ZBS(-5,2) = -3.25048356502217E-06 + RBC(-4,2) = 1.50530476034115E-04 ZBS(-4,2) = 4.61522421935086E-05 + RBC(-3,2) = -1.23084235126550E-03 ZBS(-3,2) = -3.40868203306282E-04 + RBC(-2,2) = 2.01350576071929E-04 ZBS(-2,2) = -4.19781517712033E-03 + RBC(-1,2) = 2.36777003797179E-03 ZBS(-1,2) = 1.98753868216412E-02 + RBC(0,2) = 5.73443941583452E-02 ZBS(0,2) = 4.81527027892127E-03 + RBC(1,2) = 6.89385874058265E-02 ZBS(1,2) = -9.28353553039424E-03 + RBC(2,2) = 4.71996849673782E-02 ZBS(2,2) = -2.04292782322197E-02 + RBC(3,2) = -5.50889052720066E-04 ZBS(3,2) = 8.81593501270446E-04 + RBC(4,2) = 4.24491391207156E-04 ZBS(4,2) = -6.08871281835245E-04 + RBC(5,2) = -2.07538883155595E-04 ZBS(5,2) = -3.88708113241096E-04 + RBC(6,2) = -1.62304038006678E-04 ZBS(6,2) = 1.72340342752605E-04 + RBC(-6,3) = -1.01105699684233E-04 ZBS(-6,3) = -6.16215454248342E-05 + RBC(-5,3) = 5.15925605980565E-05 ZBS(-5,3) = 1.23419431936950E-04 + RBC(-4,3) = -3.79290487874111E-05 ZBS(-4,3) = 3.98637008165582E-06 + RBC(-3,3) = -2.96154201246223E-04 ZBS(-3,3) = -7.01248486620889E-04 + RBC(-2,3) = 1.27628943631957E-03 ZBS(-2,3) = 3.19332333533202E-03 + RBC(-1,3) = 3.12803506573940E-03 ZBS(-1,3) = -8.24657727838880E-03 + RBC(0,3) = -1.34574092972690E-02 ZBS(0,3) = 5.05936199755365E-03 + RBC(1,3) = -8.02339287294677E-03 ZBS(1,3) = -3.90421394288867E-03 + RBC(2,3) = -1.68510947837154E-02 ZBS(2,3) = 3.75441853342170E-03 + RBC(3,3) = -8.00581733372124E-03 ZBS(3,3) = 6.00542774606014E-03 + RBC(4,3) = 1.80667899211621E-03 ZBS(4,3) = -4.16787432635077E-04 + RBC(5,3) = 3.10773970094350E-05 ZBS(5,3) = 5.44335921432213E-05 + RBC(6,3) = 8.32496816115997E-05 ZBS(6,3) = -4.15830451164888E-05 + RBC(-6,4) = -1.19874891436340E-05 ZBS(-6,4) = 1.56845408711308E-05 + RBC(-5,4) = 1.22793444338155E-04 ZBS(-5,4) = -3.97576733690054E-05 + RBC(-4,4) = -1.30945484439682E-04 ZBS(-4,4) = -7.22429623460448E-05 + RBC(-3,4) = -1.21368603604647E-04 ZBS(-3,4) = 3.52928331257216E-04 + RBC(-2,4) = 1.00352526472782E-03 ZBS(-2,4) = -1.23710282249961E-04 + RBC(-1,4) = -1.73680844498789E-03 ZBS(-1,4) = -1.50689928334813E-03 + RBC(0,4) = 1.80149787198970E-03 ZBS(0,4) = 1.56109492686192E-03 + RBC(1,4) = 3.82771889154294E-03 ZBS(1,4) = 3.80910842862487E-03 + RBC(2,4) = 5.43835034437129E-03 ZBS(2,4) = 2.06275075117804E-03 + RBC(3,4) = 8.39729828422411E-04 ZBS(3,4) = -1.54779126563731E-03 + RBC(4,4) = 6.74263596810560E-04 ZBS(4,4) = -1.33149943553452E-03 + RBC(5,4) = -6.98647584180715E-04 ZBS(5,4) = 3.81307095116973E-04 + RBC(6,4) = 8.77670652920776E-05 ZBS(6,4) = -1.40433963574141E-05 + RBC(-6,5) = 6.78635213884316E-06 ZBS(-6,5) = -1.22283666932084E-05 + RBC(-5,5) = 3.87846546342867E-05 ZBS(-5,5) = 4.64829761643373E-05 + RBC(-4,5) = -3.78300368387435E-05 ZBS(-4,5) = -7.03801581329045E-05 + RBC(-3,5) = -1.21743926248229E-05 ZBS(-3,5) = 1.85735151533626E-04 + RBC(-2,5) = -2.68229697014545E-04 ZBS(-2,5) = -9.33216243296025E-04 + RBC(-1,5) = 1.19567316567517E-03 ZBS(-1,5) = 2.12648562837673E-03 + RBC(0,5) = -7.12579133390599E-04 ZBS(0,5) = -1.97890515574565E-03 + RBC(1,5) = 8.81127157923892E-04 ZBS(1,5) = 2.71321673191593E-03 + RBC(2,5) = 9.67210453659238E-04 ZBS(2,5) = 8.74618447862515E-04 + RBC(3,5) = 2.11794179698155E-04 ZBS(3,5) = 8.43817701627930E-04 + RBC(4,5) = 1.29403911922840E-03 ZBS(4,5) = 6.51808476607835E-04 + RBC(5,5) = -1.30477683585083E-04 ZBS(5,5) = 1.01349326961770E-04 + RBC(6,5) = 1.86680624010370E-04 ZBS(6,5) = -2.13838628730300E-04 + RBC(-6,6) = -4.08213549686361E-05 ZBS(-6,6) = -7.53394429655583E-06 + RBC(-5,6) = 7.11305157811999E-05 ZBS(-5,6) = 2.54876062250879E-05 + RBC(-4,6) = -1.33727065581923E-04 ZBS(-4,6) = -1.70180862196520E-05 + RBC(-3,6) = 1.65191943182183E-06 ZBS(-3,6) = -1.31350577800873E-04 + RBC(-2,6) = 2.19460449719541E-04 ZBS(-2,6) = 4.38914760402648E-04 + RBC(-1,6) = 4.68618562605432E-04 ZBS(-1,6) = -4.44537659614533E-04 + RBC(0,6) = -8.51896573200937E-04 ZBS(0,6) = 7.36122964253313E-04 + RBC(1,6) = -5.26623264534578E-05 ZBS(1,6) = -1.12352425125337E-03 + RBC(2,6) = -1.31954654361710E-04 ZBS(2,6) = -2.22905186553194E-03 + RBC(3,6) = -8.91482312658694E-04 ZBS(3,6) = -2.11193996461398E-03 + RBC(4,6) = -3.89733094884781E-04 ZBS(4,6) = -3.44184359663702E-04 + RBC(5,6) = -2.74329775462215E-04 ZBS(5,6) = -5.06914660659672E-05 + RBC(6,6) = 2.47385092660320E-04 ZBS(6,6) = 3.74971583066409E-05 +/ diff --git a/golden_record/test_data/wout_ncsx_vacuum.nc b/golden_record/test_data/wout_ncsx_vacuum.nc new file mode 100644 index 00000000..2fc1af6b Binary files /dev/null and b/golden_record/test_data/wout_ncsx_vacuum.nc differ diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 497540e7..b50428d4 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -28,6 +28,7 @@ set(SOURCES orbit_symplectic_base.f90 orbit_symplectic_quasi.f90 orbit_symplectic.f90 + magfie_coils.f90 util.F90 samplers.f90 cut_detector.f90 diff --git a/src/classification.f90 b/src/classification.f90 index ae52329e..f5785dbd 100644 --- a/src/classification.f90 +++ b/src/classification.f90 @@ -60,7 +60,7 @@ subroutine trace_orbit_with_classifiers(anorb, ipart, class_result) use find_bminmax_sub, only : get_bminmax use magfie_sub, only : magfie use plag_coeff_sub, only : plag_coeff - use alpha_lifetime_sub, only : orbit_timestep_axis + use alpha_lifetime_sub, only : orbit_timestep_axis, orbit_timestep_rk4, orbit_timestep_can type(Tracer), intent(inout) :: anorb integer, intent(in) :: ipart @@ -245,7 +245,11 @@ subroutine trace_orbit_with_classifiers(anorb, ipart, class_result) cycle endif do ktau=1,ntau - if (integmode <= 0) then + if (integmode == -2) then + call orbit_timestep_rk4(z, dtaumin, ierr) + else if (integmode == -1) then + call orbit_timestep_can(z, dtaumin, dtaumin, relerr, ierr) + else if (integmode <= 0) then call orbit_timestep_axis(z, dtaumin, dtaumin, relerr, ierr) else call orbit_timestep_sympl(anorb%si, anorb%f, ierr) diff --git a/src/coordinates/coordinates.f90 b/src/coordinates/coordinates.f90 index 11621563..f6cc4fd7 100644 --- a/src/coordinates/coordinates.f90 +++ b/src/coordinates/coordinates.f90 @@ -45,6 +45,7 @@ subroutine transform_cyl_to_cart(xfrom, xto, dxto_dxfrom) end subroutine transform_cyl_to_cart + function get_transform(from, to) procedure(transform_i), pointer :: get_transform character(*), intent(in) :: from, to diff --git a/src/field/field_coils.f90 b/src/field/field_coils.f90 index 24f651ab..0fc9063c 100644 --- a/src/field/field_coils.f90 +++ b/src/field/field_coils.f90 @@ -238,4 +238,4 @@ subroutine coils_field_cleanup(self) end if end subroutine coils_field_cleanup -end module field_coils \ No newline at end of file +end module field_coils diff --git a/src/magfie.f90 b/src/magfie.f90 index 3055581b..f184dc73 100644 --- a/src/magfie.f90 +++ b/src/magfie.f90 @@ -3,6 +3,7 @@ module magfie_sub use field_can_meiss, only: magfie_meiss use field_can_albert, only: magfie_albert use magfie_can_boozer_sub, only: magfie_can, magfie_boozer +use magfie_coils_sub, only: magfie_coils implicit none @@ -31,7 +32,7 @@ end subroutine magfie_base procedure(magfie_base), pointer :: magfie => null() -integer, parameter :: TEST=-1, CANFLUX=0, VMEC=1, BOOZER=2, MEISS=3, ALBERT=4 +integer, parameter :: TEST=-1, CANFLUX=0, VMEC=1, BOOZER=2, MEISS=3, ALBERT=4, COILS=5 contains @@ -52,6 +53,8 @@ subroutine init_magfie(id) magfie => magfie_meiss case(ALBERT) magfie => magfie_albert + case(COILS) + magfie => magfie_coils case default print *,'init_magfie: unknown id ', id error stop diff --git a/src/magfie_coils.f90 b/src/magfie_coils.f90 new file mode 100644 index 00000000..3644cc08 --- /dev/null +++ b/src/magfie_coils.f90 @@ -0,0 +1,144 @@ +module magfie_coils_sub + + use, intrinsic :: iso_fortran_env, only : dp => real64 + use field_coils, only : CoilsField, create_coils_field + use neo_biotsavart, only : compute_magnetic_field + + implicit none + + class(CoilsField), allocatable :: coils_field_gc + +contains + + subroutine init_magfie_coils_from_file(filename) + character(*), intent(in) :: filename + + if (allocated(coils_field_gc)) then + deallocate(coils_field_gc) + end if + + ! For guiding-centre coils mode we only need direct Biot–Savart + ! evaluation via evaluate_direct; spline precomputation is not required. + call create_coils_field(filename, coils_field_gc, should_spline = .false.) + end subroutine init_magfie_coils_from_file + + + subroutine magfie_coils(x, bmod, sqrtg, bder, hcovar, hctrvr, hcurl) + ! Guiding-centre magnetic field interface for direct coils mode. + ! + ! Coordinates x are Cartesian: + ! x(1) = X [cm] + ! x(2) = Y [cm] + ! x(3) = Z [cm] + ! + ! The magnetic field is evaluated from the coils via Biot–Savart in + ! Cartesian space. The guiding-centre equations use a trivial metric + ! (sqrtg = 1, covariant = contravariant) in these coordinates. + real(dp), intent(in) :: x(3) + real(dp), intent(out) :: bmod, sqrtg + real(dp), dimension(3), intent(out) :: bder, hcovar, hctrvr, hcurl + + real(dp), parameter :: hfd = 1.0d-3 + + real(dp) :: x_base(3) + real(dp) :: bmod_base + real(dp) :: hcov_base(3), hctr_base(3) + + real(dp) :: x_plus(3), x_minus(3) + real(dp) :: b_plus, b_minus + real(dp) :: hcov_plus(3), hcov_minus(3), hctr_tmp(3) + real(dp) :: dhdq(3,3) + real(dp) :: delta(3) + + integer :: i, j, k + + if (.not. allocated(coils_field_gc)) then + print *, 'magfie_coils: coils field not initialized' + error stop + end if + + ! Base state + x_base = x + call eval_coils_state(x_base, bmod_base, hcov_base, hctr_base) + + bmod = bmod_base + sqrtg = 1.0d0 + hcovar = hcov_base + hctrvr = hctr_base + + delta = hfd + + ! Finite-difference derivatives for log(B) and hcovar in Cartesian coordinates + do i = 1, 3 + x_plus = x_base + x_minus = x_base + + x_plus(i) = x_plus(i) + delta(i) + x_minus(i) = x_minus(i) - delta(i) + + call eval_coils_state(x_plus, b_plus, hcov_plus, hctr_tmp) + call eval_coils_state(x_minus, b_minus, hcov_minus, hctr_tmp) + + if (b_plus <= 0.0d0 .or. b_minus <= 0.0d0) then + print *, 'magfie_coils: non-positive B encountered in finite differences' + error stop + end if + + bder(i) = (log(b_plus) - log(b_minus))/(2.0d0*delta(i)) + + do j = 1, 3 + dhdq(j,i) = (hcov_plus(j) - hcov_minus(j))/(2.0d0*delta(i)) + end do + end do + + ! Curl of h in contravariant components: + ! (curl h)^i = (1/sqrtg) * epsilon^{ijk} * d h_k / d q_j + do i = 1, 3 + hcurl(i) = 0.0d0 + do j = 1, 3 + do k = 1, 3 + hcurl(i) = hcurl(i) + levi_civita(i,j,k)*dhdq(k,j) + end do + end do + hcurl(i) = hcurl(i)/sqrtg + end do + end subroutine magfie_coils + + + subroutine eval_coils_state(x_cart, bmod, hcovar, hctrvr) + ! Evaluate B and unit vector h at a single point in Cartesian coordinates. + real(dp), intent(in) :: x_cart(3) + real(dp), intent(out) :: bmod + real(dp), intent(out) :: hcovar(3), hctrvr(3) + + real(dp) :: Bcart(3), normB + + Bcart = compute_magnetic_field(coils_field_gc%coils, x_cart) + + normB = sqrt(Bcart(1)**2 + Bcart(2)**2 + Bcart(3)**2) + if (normB <= 0.0d0) then + print *, 'eval_coils_state: non-positive |B|' + error stop + end if + + bmod = normB + hcovar = Bcart / normB + hctrvr = hcovar + end subroutine eval_coils_state + + pure function levi_civita(i, j, k) result(eps) + integer, intent(in) :: i, j, k + real(dp) :: eps + + if (i == j .or. j == k .or. i == k) then + eps = 0.0d0 + else if ((i == 1 .and. j == 2 .and. k == 3) .or. & + (i == 2 .and. j == 3 .and. k == 1) .or. & + (i == 3 .and. j == 1 .and. k == 2)) then + eps = 1.0d0 + else + eps = -1.0d0 + end if + end function levi_civita + +end module magfie_coils_sub diff --git a/src/netcdf_orbit_output.f90 b/src/netcdf_orbit_output.f90 index d0d611a3..d14b54d4 100644 --- a/src/netcdf_orbit_output.f90 +++ b/src/netcdf_orbit_output.f90 @@ -182,12 +182,20 @@ end subroutine write_coordinates subroutine write_orbit_to_netcdf(ipart, orbit_traj, orbit_times) use field_can_mod, only : can_to_ref + use velo_mod, only : isw_field_type + use magfie_sub, only : COILS + use params, only : zstart + use vmec_coordinates, only : vmec_to_cart_lib => vmec_to_cart integer, intent(in) :: ipart real(kind(1.0d0)), intent(in) :: orbit_traj(:,:) ! (5, ntimstep) real(kind(1.0d0)), intent(in) :: orbit_times(:) ! (ntimstep) - integer :: it, status, n_times - real(kind(1.0d0)) :: xref(3) + integer :: it, status, n_times, newton_iter + real(kind(1.0d0)) :: xref(3), xref_prev(3) + real(kind(1.0d0)) :: xcart(3), x_eval(3) + real(kind(1.0d0)) :: J(3,3), rhs(3), Jinv(3,3), delta(3), res_norm + integer, parameter :: max_iter = 10 + real(kind(1.0d0)), parameter :: tol = 1.0d-10 real(kind(1.0d0)), allocatable :: s_array(:), theta_array(:), phi_array(:) if (.not. netcdf_initialized) then @@ -197,13 +205,46 @@ subroutine write_orbit_to_netcdf(ipart, orbit_traj, orbit_times) n_times = size(orbit_times) allocate(s_array(n_times), theta_array(n_times), phi_array(n_times)) - ! Convert canonical to reference coordinates - do it = 1, n_times - call can_to_ref(orbit_traj(1:3, it), xref) - s_array(it) = xref(1) - theta_array(it) = xref(2) - phi_array(it) = xref(3) - enddo + if (isw_field_type == COILS) then + ! Coils GC mode: orbit_traj(1:3,:) are Cartesian (x,y,z). + ! Recover VMEC reference coordinates (s,theta,phi) via Newton iteration, + ! using previous VMEC point as initial guess. For the first timestep, + ! use the starting VMEC position from zstart. + xref_prev(:) = zstart(1:3, ipart) + + do it = 1, n_times + xcart = orbit_traj(1:3, it) + xref = xref_prev + + do newton_iter = 1, max_iter + call vmec_to_cart_lib(xref, x_eval, J) + rhs = x_eval - xcart + res_norm = sqrt(rhs(1)**2 + rhs(2)**2 + rhs(3)**2) + if (res_norm < tol) exit + + call invert_3x3_local(J, Jinv) + delta = matmul(Jinv, rhs) + xref = xref - delta + + xref(1) = max(0.0d0, min(1.0d0, xref(1))) + xref(2) = modulo(xref(2), 2.0d0*3.14159265358979d0) + xref(3) = modulo(xref(3), 2.0d0*3.14159265358979d0) + end do + + xref_prev = xref + s_array(it) = xref(1) + theta_array(it) = xref(2) + phi_array(it) = xref(3) + end do + else + ! Convert canonical to reference coordinates for non-coils modes + do it = 1, n_times + call can_to_ref(orbit_traj(1:3, it), xref) + s_array(it) = xref(1) + theta_array(it) = xref(2) + phi_array(it) = xref(3) + enddo + end if ! Write entire orbit to NetCDF in one shot status = nf90_put_var(ncid, varid_time, orbit_times, start=[ipart, 1], count=[1, n_times]) @@ -226,6 +267,34 @@ subroutine write_orbit_to_netcdf(ipart, orbit_traj, orbit_times) end subroutine write_orbit_to_netcdf + subroutine invert_3x3_local(a, a_inv) + real(dp), intent(in) :: a(3,3) + real(dp), intent(out) :: a_inv(3,3) + real(dp) :: det + + det = a(1,1)*(a(2,2)*a(3,3)-a(2,3)*a(3,2)) - & + a(1,2)*(a(2,1)*a(3,3)-a(2,3)*a(3,1)) + & + a(1,3)*(a(2,1)*a(3,2)-a(2,2)*a(3,1)) + + if (abs(det) < 1.0d-20) then + print *, "invert_3x3_local: singular matrix" + error stop + end if + + a_inv(1,1) = (a(2,2)*a(3,3)-a(2,3)*a(3,2))/det + a_inv(1,2) = (a(1,3)*a(3,2)-a(1,2)*a(3,3))/det + a_inv(1,3) = (a(1,2)*a(2,3)-a(1,3)*a(2,2))/det + + a_inv(2,1) = (a(2,3)*a(3,1)-a(2,1)*a(3,3))/det + a_inv(2,2) = (a(1,1)*a(3,3)-a(1,3)*a(3,1))/det + a_inv(2,3) = (a(1,3)*a(2,1)-a(1,1)*a(2,3))/det + + a_inv(3,1) = (a(2,1)*a(3,2)-a(2,2)*a(3,1))/det + a_inv(3,2) = (a(1,2)*a(3,1)-a(1,1)*a(3,2))/det + a_inv(3,3) = (a(1,1)*a(2,2)-a(1,2)*a(2,1))/det + end subroutine invert_3x3_local + + subroutine close_orbit_netcdf() integer :: status diff --git a/src/simple_main.f90 b/src/simple_main.f90 index 6729073b..172ce3b1 100644 --- a/src/simple_main.f90 +++ b/src/simple_main.f90 @@ -6,6 +6,7 @@ module simple_main use collis_alp, only : loacol_alpha, stost use samplers, only: sample use field_can_mod, only : can_to_ref, ref_to_can, init_field_can + use simple_coordinates, only : transform_vmec_to_cart use callback, only : output_orbits_macrostep use params, only: swcoll, ntestpart, startmode, special_ants_file, num_surf, & grid_density, dtau, dtaumin, ntau, v0, & @@ -96,7 +97,8 @@ subroutine init_field(self, vmec_file, ans_s, ans_tp, amultharm, aintegmode) use field_base, only : MagneticField use field, only : field_from_file use timing, only : print_phase_time - use magfie_sub, only : TEST, CANFLUX, VMEC, BOOZER, MEISS, ALBERT + use magfie_sub, only : TEST, CANFLUX, VMEC, BOOZER, MEISS, ALBERT, COILS + use magfie_coils_sub, only : init_magfie_coils_from_file character(*), intent(in) :: vmec_file type(Tracer), intent(inout) :: self @@ -107,14 +109,17 @@ subroutine init_field(self, vmec_file, ans_s, ans_tp, amultharm, aintegmode) call print_phase_time('VMEC initialization completed') self%integmode = aintegmode - if (self%integmode >= 0) then - if(trim(field_input) == '') then - call field_from_file(vmec_file, field_temp) - else - call field_from_file(field_input, field_temp) - end if - call print_phase_time('Field from file loading completed') + + ! Always construct a non-canonical field representation. It is used + ! for canonical coordinate construction (Meiss, Albert, Boozer, flux). + ! For coils guiding-centre mode we only allocate it but do not use it + ! in the magfie backend. + if (trim(field_input) == '') then + call field_from_file(vmec_file, field_temp) + else + call field_from_file(field_input, field_temp) end if + call print_phase_time('Field from file loading completed') if (self%integmode > 0) then select case (isw_field_type) @@ -134,6 +139,15 @@ subroutine init_field(self, vmec_file, ans_s, ans_tp, amultharm, aintegmode) call init_field_can(isw_field_type, field_temp) call print_phase_time('Canonical field initialization completed') end if + + if (self%integmode <= 0 .and. isw_field_type == COILS) then + if (len_trim(field_input) == 0) then + error stop 'GC coils mode requires field_input (coils file)' + end if + + call init_magfie_coils_from_file(field_input) + call print_phase_time('Coils magfie initialization completed') + end if end subroutine init_field @@ -303,7 +317,11 @@ subroutine trace_orbit(anorb, ipart, orbit_traj, orbit_times) return endif - call ref_to_can(zstart(1:3, ipart), z(1:3)) + if (isw_field_type == 5 .and. integmode <= 0) then + call transform_vmec_to_cart(zstart(1:3, ipart), z(1:3)) + else + call ref_to_can(zstart(1:3, ipart), z(1:3)) + end if z(4:5) = zstart(4:5, ipart) zend(:,ipart) = 0d0 @@ -328,7 +346,6 @@ subroutine trace_orbit(anorb, ipart, orbit_traj, orbit_times) do it = 1, ntimstep if (it >= 2) call macrostep(anorb, z, kt, ierr_orbit) if(ierr_orbit .ne. 0) then - it_final = it exit endif @@ -349,14 +366,20 @@ subroutine trace_orbit(anorb, ipart, orbit_traj, orbit_times) endif !$omp critical - call can_to_ref(z(1:3), zend(1:3,ipart)) + if (isw_field_type == 5 .and. integmode <= 0) then + ! For coils Cartesian GC, zend(1:3,:) are not used in tests; keep + ! Cartesian coordinates here for diagnostics. + zend(1:3,ipart) = z(1:3) + else + call can_to_ref(z(1:3), zend(1:3,ipart)) + end if zend(4:5, ipart) = z(4:5) times_lost(ipart) = kt*dtaumin/v0 !$omp end critical end subroutine trace_orbit subroutine macrostep(anorb, z, kt, ierr_orbit) - use alpha_lifetime_sub, only : orbit_timestep_axis + use alpha_lifetime_sub, only : orbit_timestep_axis, orbit_timestep_rk4, orbit_timestep_can use orbit_symplectic, only : orbit_timestep_sympl type(Tracer), intent(inout) :: anorb @@ -367,7 +390,11 @@ subroutine macrostep(anorb, z, kt, ierr_orbit) integer :: ktau do ktau=1,ntau - if (integmode <= 0) then + if (integmode == -2) then + call orbit_timestep_rk4(z, dtaumin, ierr_orbit) + else if (integmode == -1) then + call orbit_timestep_can(z, dtaumin, dtaumin, relerr, ierr_orbit) + else if (integmode <= 0) then call orbit_timestep_axis(z, dtaumin, dtaumin, relerr, ierr_orbit) else if (swcoll) call update_momentum(anorb, z) diff --git a/src/sub_alpha_lifetime_can.f90 b/src/sub_alpha_lifetime_can.f90 index e9c7687f..23532179 100644 --- a/src/sub_alpha_lifetime_can.f90 +++ b/src/sub_alpha_lifetime_can.f90 @@ -167,6 +167,8 @@ subroutine orbit_timestep_can(z,dtau,dtaumin,relerr,ierr) use diag_mod, only : dodiag use odeint_allroutines_sub, only : odeint_allroutines use chamb_sub, only : chamb_can +use velo_mod, only : isw_field_type +use magfie_sub, only : COILS ! implicit none ! @@ -190,9 +192,12 @@ subroutine orbit_timestep_can(z,dtau,dtaumin,relerr,ierr) y(2)=z(2) phi=z(3) ! - call chamb_can(y,phi,ierr) - ! - if(ierr.ne.0) return + if (isw_field_type /= COILS) then + call chamb_can(y,phi,ierr) + if(ierr.ne.0) return + else + ierr = 0 + end if tau1=0.d0 tau2=dtaumin ! @@ -205,9 +210,12 @@ subroutine orbit_timestep_can(z,dtau,dtaumin,relerr,ierr) y(2)=z(2) phi=z(3) ! - call chamb_can(y,phi,ierr) - ! - if(ierr.ne.0) return + if (isw_field_type /= COILS) then + call chamb_can(y,phi,ierr) + if(ierr.ne.0) return + else + ierr = 0 + end if tau1=tau2 tau2=tau2+dtaumin enddo @@ -220,13 +228,85 @@ subroutine orbit_timestep_can(z,dtau,dtaumin,relerr,ierr) y(2)=z(2) phi=z(3) ! - call chamb_can(y,phi,ierr) - ! - if(ierr.ne.0) return + if (isw_field_type /= COILS) then + call chamb_can(y,phi,ierr) + if(ierr.ne.0) return + else + ierr = 0 + end if ! end subroutine orbit_timestep_can ! !ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc + ! + subroutine orbit_timestep_rk4(z, dtau, ierr) + ! + ! Fixed-step RK4 guiding-center integrator in canonical coordinates. + ! Uses velo_can for the right-hand side and chamb_can for wall checks. + ! + use chamb_sub, only : chamb_can + use velo_mod, only : isw_field_type + use magfie_sub, only : COILS + ! + implicit none + ! + integer, parameter :: ndim = 5 + real(dp), intent(inout) :: z(:) + real(dp), intent(in) :: dtau + integer, intent(out) :: ierr + ! + real(dp) :: tau + real(dp), dimension(ndim) :: k1, k2, k3, k4, ztmp + real(dp), dimension(2) :: y + real(dp) :: phi + ! + if (size(z) /= ndim) then + ierr = 1 + return + end if + ! + ierr = 0 + ! + ! Chamber check at starting point (skip for coils Cartesian GC) + y(1) = z(1) + y(2) = z(2) + phi = z(3) + if (isw_field_type /= COILS) then + call chamb_can(y, phi, ierr) + if (ierr /= 0) return + else + ierr = 0 + end if + ! + tau = 0.0_dp + ! + ! Classic RK4 step for z' = velo_can(tau, z) + call velo_can(tau, z, k1) + ! + ztmp = z + 0.5_dp*dtau*k1 + call velo_can(tau + 0.5_dp*dtau, ztmp, k2) + ! + ztmp = z + 0.5_dp*dtau*k2 + call velo_can(tau + 0.5_dp*dtau, ztmp, k3) + ! + ztmp = z + dtau*k3 + call velo_can(tau + dtau, ztmp, k4) + ! + z = z + dtau*(k1 + 2.0_dp*k2 + 2.0_dp*k3 + k4)/6.0_dp + ! + ! Chamber check at end point (skip for coils Cartesian GC) + y(1) = z(1) + y(2) = z(2) + phi = z(3) + if (isw_field_type /= COILS) then + call chamb_can(y, phi, ierr) + else + ierr = 0 + end if + ! + end subroutine orbit_timestep_rk4 + ! + !ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc ! subroutine rhs_mflint_can(phi,y,dery) ! diff --git a/test/golden_record/run_golden_tests.sh b/test/golden_record/run_golden_tests.sh index e44f3d5d..30536548 100755 --- a/test/golden_record/run_golden_tests.sh +++ b/test/golden_record/run_golden_tests.sh @@ -47,11 +47,11 @@ if [ ! -f "$WOUT_FILE" ]; then wget -q https://github.com/hiddenSymmetries/simsopt/raw/master/tests/test_files/wout_LandremanPaul2021_QA_reactorScale_lowres_reference.nc -O "$WOUT_FILE" fi -# Download NCSX wout.nc for coils tests +# Download NCSX wout.nc for coils tests (free-boundary DIAGNO_TEST equilibrium) WOUT_NCSX_FILE="$TEST_DATA_DIR/wout_ncsx.nc" if [ ! -f "$WOUT_NCSX_FILE" ]; then - echo "Downloading NCSX wout.nc..." - wget -q https://github.com/hiddenSymmetries/simsopt/raw/master/tests/test_files/wout_c09r00_fixedBoundary_0.5T_vacuum_ns201.nc -O "$WOUT_NCSX_FILE" + echo "Downloading NCSX wout_ncsx.nc (free-boundary DIAGNO_TEST)..." + wget -q https://github.com/PrincetonUniversity/STELLOPT/raw/master/BENCHMARKS/DIAGNO_TEST/wout_ncsx.nc -O "$WOUT_NCSX_FILE" fi # Download and convert NCSX coils file diff --git a/test/tests/CMakeLists.txt b/test/tests/CMakeLists.txt index a06167ff..75b29aec 100644 --- a/test/tests/CMakeLists.txt +++ b/test/tests/CMakeLists.txt @@ -296,6 +296,21 @@ set_tests_properties(orbit_netcdf_plot PROPERTIES LABELS "system;integration;plot" ) +################################################## +# NCSX GC RK4 COMPARISON TEST (VMEC vs COILS) +################################################## + +add_test( + NAME gc_rk4_ncsx_vmec_vs_coils + COMMAND ${CMAKE_COMMAND} -E env python3 + ${CMAKE_SOURCE_DIR}/examples/compare_gc_coils_rk.py + ${CMAKE_BINARY_DIR}/test/ncsx_gc_coils_rk +) +set_tests_properties(gc_rk4_ncsx_vmec_vs_coils PROPERTIES + TIMEOUT 300 + LABELS "system;integration;plot;slow" +) + ################################################## # GOLDEN RECORD TESTS ################################################## diff --git a/test/tests/magfie/test_magfie_coils.f90 b/test/tests/magfie/test_magfie_coils.f90 index f8c1c75f..ede1978f 100644 --- a/test/tests/magfie/test_magfie_coils.f90 +++ b/test/tests/magfie/test_magfie_coils.f90 @@ -6,6 +6,7 @@ program test_magfie_coils use velo_mod, only: isw_field_type use field, only: VmecField, CoilsField, create_coils_field use magfie_sub, only: magfie_vmec +use magfie_coils_sub, only: init_magfie_coils_from_file, magfie_coils use util, only: twopi implicit none @@ -19,6 +20,7 @@ program test_magfie_coils call init_vmec('wout.nc', 5, 5, 5, dummy) allocate(vmec_field) call create_coils_field('coils.5C', coils_field) +call init_magfie_coils_from_file('coils.5C') x = [0.3d0, 0.2d0, 0.1d0] @@ -109,51 +111,6 @@ subroutine test_magfie_curve end subroutine test_magfie_curve -subroutine magfie_coils(x,bmod,sqrtg,bder,hcovar,hctrvr,hcurl) - use interpolate, only: evaluate_batch_splines_3d_der - - real(dp), intent(in) :: x(3) - real(dp), intent(out) :: bmod, sqrtg - real(dp), dimension(3), intent(out) :: bder, hcovar, hctrvr, hcurl - - real(dp) :: Ar, Ath, Aphi, hr, hth, hphi - real(dp), dimension(3) :: dAr, dAth, dAphi, dhr, dhth, dhphi - real(dp) :: y_batch(7), dy_batch(3, 7) - - real(dp) :: sqrtg_bmod - - ! Use batch spline evaluation for all 7 components - call evaluate_batch_splines_3d_der(coils_field%spl_coils_batch, x, y_batch, dy_batch) - - ! Unpack results: order is [Ar, Ath, Aphi, hr, hth, hphi, Bmod] - Ar = y_batch(1); dAr = dy_batch(:, 1) - Ath = y_batch(2); dAth = dy_batch(:, 2) - Aphi = y_batch(3); dAphi = dy_batch(:, 3) - hr = y_batch(4); dhr = dy_batch(:, 4) - hth = y_batch(5); dhth = dy_batch(:, 5) - hphi = y_batch(6); dhphi = dy_batch(:, 6) - bmod = y_batch(7); bder = dy_batch(:, 7) - bder = bder/bmod - - sqrtg_bmod = dAth(1)*hphi - dAphi(1)*hth + & - dAphi(2)*hr - dAr(2)*hphi + & - dAr(3)*hth - dAth(3)*hr - - sqrtg = sqrtg_bmod/bmod - - hcovar(1) = hr - hcovar(2) = hth - hcovar(3) = hphi - - hctrvr(1) = (dAphi(2) - dAth(3))/sqrtg_bmod - hctrvr(2) = (dAr(3) - dAphi(1))/sqrtg_bmod - hctrvr(3) = (dAth(1) - dAr(2))/sqrtg_bmod - - hcurl(1) = (dhphi(2) - dhth(3))/sqrtg - hcurl(2) = (dhr(3) - dhphi(1))/sqrtg - hcurl(3) = (dhth(1) - dhr(2))/sqrtg -end subroutine magfie_coils - subroutine test_can use field_can_mod, only: FieldCan