Latest scripts to track phase transition via tilt
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Karthik
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c87a142106
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@ -1,9 +1,36 @@
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OptionsStruct = struct;
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function run_on_cluster(batchParams, batchIdx)
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nJobs = size(batchParams, 1);
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OptionsStruct.NumberOfAtoms = 5E7;
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OptionsStruct.DipolarPolarAngle = deg2rad(0);
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OptionsStruct.DipolarAzimuthAngle = 0;
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OptionsStruct.ScatteringLength = 102;
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for k = 1:nJobs
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% Unpack parameter tuple
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a_s = batchParams(k, 1);
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theta_deg = batchParams(k, 2);
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phi_deg = batchParams(k, 3);
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N_atoms = batchParams(k, 4);
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theta_rad = deg2rad(theta_deg);
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phi_rad = deg2rad(phi_deg);
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% Create unique save directory
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jobName = sprintf('aS_%03d_theta_%03d_phi_%03d_N_%d', a_s, theta_deg, phi_deg, N_atoms);
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saveDir = fullfile('./Results/Data_3D/PhaseDiagram', jobName);
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if ~exist(saveDir, 'dir')
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mkdir(saveDir);
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end
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% Copy psi_init.mat from the parent folder into saveDir
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srcFile = fullfile('./Results/Data_3D/PhaseDiagram', 'psi_init.mat');
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destFile = fullfile(saveDir, 'psi_init.mat');
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if exist(srcFile, 'file')
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copyfile(srcFile, destFile);
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end
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% Options for this run
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OptionsStruct = struct;
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OptionsStruct.NumberOfAtoms = N_atoms;
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OptionsStruct.DipolarPolarAngle = theta_rad;
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OptionsStruct.DipolarAzimuthAngle = phi_rad;
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OptionsStruct.ScatteringLength = a_s;
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OptionsStruct.TrapFrequencies = [50, 20, 150];
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OptionsStruct.TrapPotentialType = 'Harmonic';
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@ -13,29 +40,38 @@ OptionsStruct.Dimensions = [40, 80, 40];
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OptionsStruct.UseApproximationForLHY = true;
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OptionsStruct.IncludeDDICutOff = true;
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OptionsStruct.CutoffType = 'Cylindrical';
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OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution' | 'EnergyMinimization'
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OptionsStruct.GradientDescentMethod = 'NonLinearCGD'; % 'HeavyBall' | 'NonLinearCGD'
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OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution';
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OptionsStruct.GradientDescentMethod = 'NonLinearCGD';
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OptionsStruct.MaxIterationsForGD = 15000;
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OptionsStruct.TimeStepSize = 1E-3; % in s
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OptionsStruct.MinimumTimeStepSize = 1E-6; % in s
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OptionsStruct.TimeCutOff = 1E4; % in s
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OptionsStruct.EnergyTolerance = 5E-10;
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OptionsStruct.TimeStepSize = 1E-3;
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OptionsStruct.MinimumTimeStepSize = 1E-6;
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OptionsStruct.TimeCutOff = 2E6;
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OptionsStruct.EnergyTolerance = 5E-08;
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OptionsStruct.ResidualTolerance = 1E-05;
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OptionsStruct.NoiseScaleFactor = 0.010;
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OptionsStruct.PlotLive = true;
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OptionsStruct.JobNumber = 0;
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OptionsStruct.RunOnGPU = false;
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OptionsStruct.PlotLive = false;
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OptionsStruct.JobNumber = k;
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OptionsStruct.RunOnGPU = true;
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OptionsStruct.SaveData = true;
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OptionsStruct.SaveDirectory = './Results/Data_3D/ImagTimeProp';
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OptionsStruct.SaveDirectory = saveDir;
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options = Helper.convertstruct2cell(OptionsStruct);
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sim = Simulator.DipolarGas(options{:});
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pot = Simulator.Potentials(options{:});
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sim.Potential = pot.trap();
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%-% Run Simulation %-%
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NumberOfOutputs = 5;
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[Params, Transf, psi, V, VDk, stats] = Helper.runWithProfiling(@() sim.run(), NumberOfOutputs, OptionsStruct.SaveDirectory);
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fprintf('Runtime: %.3f seconds\n', stats.runtime);
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fprintf('Memory used: %.2f MB\n', stats.workspaceMemoryMB);
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try
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[Params, Transf, psi, ~, ~, stats] = Helper.runWithProfiling(@() sim.run(), NumberOfOutputs, saveDir);
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save(fullfile('./Results/Data_3D/PhaseDiagram', 'psi_init.mat'), 'psi', 'Transf', 'Params');
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catch ME
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fprintf('ERROR in job %d:\n%s\n', k, getReport(ME, 'extended'));
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continue;
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end
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fprintf('Batch %d | Job %d: a_s = %d, theta = %d°, phi = %d°, N = %d | Time = %.2f s\n', ...
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batchIdx, k, a_s, theta_deg, phi_deg, N_atoms, stats.runtime);
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end
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end
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26
Dipolar-Gas-Simulator/+Scripts/run_on_cluster_wrapper.m
Normal file
26
Dipolar-Gas-Simulator/+Scripts/run_on_cluster_wrapper.m
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@ -0,0 +1,26 @@
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function run_on_cluster_wrapper() % batchIdx is unused now
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% Read parameter ranges
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a_s_list = parse_environmental_variable('SCATTERING_LENGTH_RANGE', 85); % Scattering length(s)
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theta = str2double(getenv('POLAR_ANGLE')); % Single polar angle
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phi_list = parse_environmental_variable('AZIMUTHAL_ANGLE_RANGE', 0); % Azimuthal angle(s)
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N_atoms_list = parse_environmental_variable('NUM_ATOMS_LIST', 90000); % Atom number(s)
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% Create full parameter grid for fixed theta
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[A, P, N] = ndgrid(a_s_list, phi_list, N_atoms_list);
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paramGrid = [A(:), repmat(theta, numel(A), 1), P(:), N(:)];
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% Call the cluster execution function
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batchIdx = 1; % Still needed for logging/debugging
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Scripts.run_on_cluster(paramGrid, batchIdx);
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end
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function vals = parse_environmental_variable(varName, default)
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str = getenv(varName);
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if isempty(str)
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vals = default;
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elseif startsWith(str, '[')
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vals = str2num(str); %#ok<ST2NM>
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else
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vals = eval(str); % Trust only controlled environments
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end
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end
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@ -0,0 +1,39 @@
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#!/bin/bash
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#SBATCH --partition=gpu-single
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#SBATCH --nodes=1
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#SBATCH --ntasks-per-node=1
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#SBATCH --cpus-per-task=8
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#SBATCH --gres=gpu:1
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#SBATCH --mem=32G
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#SBATCH --time=48:00:00
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#SBATCH --job-name=theta_scan_serial
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#SBATCH --output=log_theta_scan.out
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#SBATCH --error=log_theta_scan.err
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module load math/matlab/R2023a
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# ----------- Define scan ranges -----------
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# Use space-separated floating-point/integer values
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SCATTERING_LENGTH_RANGE="[95.62]"
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POLAR_ANGLE_RANGE="[0.0 5.0 10.0 15.0 20.0 25.0 30.0 35.0 40.0 45.0]"
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AZIMUTHAL_ANGLE_RANGE="[0.0]"
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NUM_ATOMS_LIST="[500000]"
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# Strip brackets and spaces for looping
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polarAngles=($(echo "$POLAR_ANGLE_RANGE" | tr -d '[],'))
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# ----------- Run all polar angle jobs sequentially within one SLURM job -----------
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for theta in "${polarAngles[@]}"; do
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echo "Running MATLAB for polar angle θ = $theta°"
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matlab -nodisplay -nosplash -r "\
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setenv('SCATTERING_LENGTH_RANGE', '$SCATTERING_LENGTH_RANGE'); \
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setenv('POLAR_ANGLE', '$theta'); \
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setenv('AZIMUTHAL_ANGLE_RANGE', '$AZIMUTHAL_ANGLE_RANGE'); \
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setenv('NUM_ATOMS_LIST', '$NUM_ATOMS_LIST'); \
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Scripts.run_on_cluster_wrapper(); exit"
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echo "Finished MATLAB job for θ = $theta°"
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done
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