Latest scripts to track phase transition via tilt
This commit is contained in:
Karthik
parent
c87a142106
commit
f17628a23c
@ -1,41 +1,77 @@
|
|||||||
OptionsStruct = struct;
|
function run_on_cluster(batchParams, batchIdx)
|
||||||
|
nJobs = size(batchParams, 1);
|
||||||
|
|
||||||
OptionsStruct.NumberOfAtoms = 5E7;
|
for k = 1:nJobs
|
||||||
OptionsStruct.DipolarPolarAngle = deg2rad(0);
|
% Unpack parameter tuple
|
||||||
OptionsStruct.DipolarAzimuthAngle = 0;
|
a_s = batchParams(k, 1);
|
||||||
OptionsStruct.ScatteringLength = 102;
|
theta_deg = batchParams(k, 2);
|
||||||
|
phi_deg = batchParams(k, 3);
|
||||||
|
N_atoms = batchParams(k, 4);
|
||||||
|
|
||||||
OptionsStruct.TrapFrequencies = [50, 20, 150];
|
theta_rad = deg2rad(theta_deg);
|
||||||
OptionsStruct.TrapPotentialType = 'Harmonic';
|
phi_rad = deg2rad(phi_deg);
|
||||||
|
|
||||||
OptionsStruct.NumberOfGridPoints = [128, 256, 128];
|
% Create unique save directory
|
||||||
OptionsStruct.Dimensions = [40, 80, 40];
|
jobName = sprintf('aS_%03d_theta_%03d_phi_%03d_N_%d', a_s, theta_deg, phi_deg, N_atoms);
|
||||||
OptionsStruct.UseApproximationForLHY = true;
|
saveDir = fullfile('./Results/Data_3D/PhaseDiagram', jobName);
|
||||||
OptionsStruct.IncludeDDICutOff = true;
|
if ~exist(saveDir, 'dir')
|
||||||
OptionsStruct.CutoffType = 'Cylindrical';
|
mkdir(saveDir);
|
||||||
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution' | 'EnergyMinimization'
|
end
|
||||||
OptionsStruct.GradientDescentMethod = 'NonLinearCGD'; % 'HeavyBall' | 'NonLinearCGD'
|
|
||||||
OptionsStruct.MaxIterationsForGD = 15000;
|
|
||||||
OptionsStruct.TimeStepSize = 1E-3; % in s
|
|
||||||
OptionsStruct.MinimumTimeStepSize = 1E-6; % in s
|
|
||||||
OptionsStruct.TimeCutOff = 1E4; % in s
|
|
||||||
OptionsStruct.EnergyTolerance = 5E-10;
|
|
||||||
OptionsStruct.ResidualTolerance = 1E-05;
|
|
||||||
OptionsStruct.NoiseScaleFactor = 0.010;
|
|
||||||
|
|
||||||
OptionsStruct.PlotLive = true;
|
% Copy psi_init.mat from the parent folder into saveDir
|
||||||
OptionsStruct.JobNumber = 0;
|
srcFile = fullfile('./Results/Data_3D/PhaseDiagram', 'psi_init.mat');
|
||||||
OptionsStruct.RunOnGPU = false;
|
destFile = fullfile(saveDir, 'psi_init.mat');
|
||||||
OptionsStruct.SaveData = true;
|
if exist(srcFile, 'file')
|
||||||
OptionsStruct.SaveDirectory = './Results/Data_3D/ImagTimeProp';
|
copyfile(srcFile, destFile);
|
||||||
options = Helper.convertstruct2cell(OptionsStruct);
|
end
|
||||||
|
|
||||||
sim = Simulator.DipolarGas(options{:});
|
% Options for this run
|
||||||
pot = Simulator.Potentials(options{:});
|
OptionsStruct = struct;
|
||||||
sim.Potential = pot.trap();
|
OptionsStruct.NumberOfAtoms = N_atoms;
|
||||||
|
OptionsStruct.DipolarPolarAngle = theta_rad;
|
||||||
|
OptionsStruct.DipolarAzimuthAngle = phi_rad;
|
||||||
|
OptionsStruct.ScatteringLength = a_s;
|
||||||
|
|
||||||
%-% Run Simulation %-%
|
OptionsStruct.TrapFrequencies = [50, 20, 150];
|
||||||
NumberOfOutputs = 5;
|
OptionsStruct.TrapPotentialType = 'Harmonic';
|
||||||
[Params, Transf, psi, V, VDk, stats] = Helper.runWithProfiling(@() sim.run(), NumberOfOutputs, OptionsStruct.SaveDirectory);
|
|
||||||
fprintf('Runtime: %.3f seconds\n', stats.runtime);
|
OptionsStruct.NumberOfGridPoints = [128, 256, 128];
|
||||||
fprintf('Memory used: %.2f MB\n', stats.workspaceMemoryMB);
|
OptionsStruct.Dimensions = [40, 80, 40];
|
||||||
|
OptionsStruct.UseApproximationForLHY = true;
|
||||||
|
OptionsStruct.IncludeDDICutOff = true;
|
||||||
|
OptionsStruct.CutoffType = 'Cylindrical';
|
||||||
|
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution';
|
||||||
|
OptionsStruct.GradientDescentMethod = 'NonLinearCGD';
|
||||||
|
OptionsStruct.MaxIterationsForGD = 15000;
|
||||||
|
OptionsStruct.TimeStepSize = 1E-3;
|
||||||
|
OptionsStruct.MinimumTimeStepSize = 1E-6;
|
||||||
|
OptionsStruct.TimeCutOff = 2E6;
|
||||||
|
OptionsStruct.EnergyTolerance = 5E-08;
|
||||||
|
OptionsStruct.ResidualTolerance = 1E-05;
|
||||||
|
OptionsStruct.NoiseScaleFactor = 0.010;
|
||||||
|
|
||||||
|
OptionsStruct.PlotLive = false;
|
||||||
|
OptionsStruct.JobNumber = k;
|
||||||
|
OptionsStruct.RunOnGPU = true;
|
||||||
|
OptionsStruct.SaveData = true;
|
||||||
|
OptionsStruct.SaveDirectory = saveDir;
|
||||||
|
|
||||||
|
options = Helper.convertstruct2cell(OptionsStruct);
|
||||||
|
|
||||||
|
sim = Simulator.DipolarGas(options{:});
|
||||||
|
pot = Simulator.Potentials(options{:});
|
||||||
|
sim.Potential = pot.trap();
|
||||||
|
|
||||||
|
NumberOfOutputs = 5;
|
||||||
|
try
|
||||||
|
[Params, Transf, psi, ~, ~, stats] = Helper.runWithProfiling(@() sim.run(), NumberOfOutputs, saveDir);
|
||||||
|
save(fullfile('./Results/Data_3D/PhaseDiagram', 'psi_init.mat'), 'psi', 'Transf', 'Params');
|
||||||
|
catch ME
|
||||||
|
fprintf('ERROR in job %d:\n%s\n', k, getReport(ME, 'extended'));
|
||||||
|
continue;
|
||||||
|
end
|
||||||
|
|
||||||
|
fprintf('Batch %d | Job %d: a_s = %d, theta = %d°, phi = %d°, N = %d | Time = %.2f s\n', ...
|
||||||
|
batchIdx, k, a_s, theta_deg, phi_deg, N_atoms, stats.runtime);
|
||||||
|
end
|
||||||
|
end
|
||||||
26
Dipolar-Gas-Simulator/+Scripts/run_on_cluster_wrapper.m
Normal file
26
Dipolar-Gas-Simulator/+Scripts/run_on_cluster_wrapper.m
Normal file
@ -0,0 +1,26 @@
|
|||||||
|
function run_on_cluster_wrapper() % batchIdx is unused now
|
||||||
|
% Read parameter ranges
|
||||||
|
a_s_list = parse_environmental_variable('SCATTERING_LENGTH_RANGE', 85); % Scattering length(s)
|
||||||
|
theta = str2double(getenv('POLAR_ANGLE')); % Single polar angle
|
||||||
|
phi_list = parse_environmental_variable('AZIMUTHAL_ANGLE_RANGE', 0); % Azimuthal angle(s)
|
||||||
|
N_atoms_list = parse_environmental_variable('NUM_ATOMS_LIST', 90000); % Atom number(s)
|
||||||
|
|
||||||
|
% Create full parameter grid for fixed theta
|
||||||
|
[A, P, N] = ndgrid(a_s_list, phi_list, N_atoms_list);
|
||||||
|
paramGrid = [A(:), repmat(theta, numel(A), 1), P(:), N(:)];
|
||||||
|
|
||||||
|
% Call the cluster execution function
|
||||||
|
batchIdx = 1; % Still needed for logging/debugging
|
||||||
|
Scripts.run_on_cluster(paramGrid, batchIdx);
|
||||||
|
end
|
||||||
|
|
||||||
|
function vals = parse_environmental_variable(varName, default)
|
||||||
|
str = getenv(varName);
|
||||||
|
if isempty(str)
|
||||||
|
vals = default;
|
||||||
|
elseif startsWith(str, '[')
|
||||||
|
vals = str2num(str); %#ok<ST2NM>
|
||||||
|
else
|
||||||
|
vals = eval(str); % Trust only controlled environments
|
||||||
|
end
|
||||||
|
end
|
||||||
@ -0,0 +1,39 @@
|
|||||||
|
#!/bin/bash
|
||||||
|
#SBATCH --partition=gpu-single
|
||||||
|
#SBATCH --nodes=1
|
||||||
|
#SBATCH --ntasks-per-node=1
|
||||||
|
#SBATCH --cpus-per-task=8
|
||||||
|
#SBATCH --gres=gpu:1
|
||||||
|
#SBATCH --mem=32G
|
||||||
|
#SBATCH --time=48:00:00
|
||||||
|
#SBATCH --job-name=theta_scan_serial
|
||||||
|
#SBATCH --output=log_theta_scan.out
|
||||||
|
#SBATCH --error=log_theta_scan.err
|
||||||
|
|
||||||
|
module load math/matlab/R2023a
|
||||||
|
|
||||||
|
# ----------- Define scan ranges -----------
|
||||||
|
|
||||||
|
# Use space-separated floating-point/integer values
|
||||||
|
SCATTERING_LENGTH_RANGE="[95.62]"
|
||||||
|
POLAR_ANGLE_RANGE="[0.0 5.0 10.0 15.0 20.0 25.0 30.0 35.0 40.0 45.0]"
|
||||||
|
AZIMUTHAL_ANGLE_RANGE="[0.0]"
|
||||||
|
NUM_ATOMS_LIST="[500000]"
|
||||||
|
|
||||||
|
# Strip brackets and spaces for looping
|
||||||
|
polarAngles=($(echo "$POLAR_ANGLE_RANGE" | tr -d '[],'))
|
||||||
|
|
||||||
|
# ----------- Run all polar angle jobs sequentially within one SLURM job -----------
|
||||||
|
|
||||||
|
for theta in "${polarAngles[@]}"; do
|
||||||
|
echo "Running MATLAB for polar angle θ = $theta°"
|
||||||
|
|
||||||
|
matlab -nodisplay -nosplash -r "\
|
||||||
|
setenv('SCATTERING_LENGTH_RANGE', '$SCATTERING_LENGTH_RANGE'); \
|
||||||
|
setenv('POLAR_ANGLE', '$theta'); \
|
||||||
|
setenv('AZIMUTHAL_ANGLE_RANGE', '$AZIMUTHAL_ANGLE_RANGE'); \
|
||||||
|
setenv('NUM_ATOMS_LIST', '$NUM_ATOMS_LIST'); \
|
||||||
|
Scripts.run_on_cluster_wrapper(); exit"
|
||||||
|
|
||||||
|
echo "Finished MATLAB job for θ = $theta°"
|
||||||
|
done
|
||||||
Loading…
Reference in New Issue
Block a user