Added lines to allow for running on GPUs in cluster.

Dipolar-Gas-Simulator/+Scripts/run_on_cluster.m

@@ -25,6 +25,7 @@ OptionsStruct.NumberOfTimeSteps       = 2E6;                      % in s
 OptionsStruct.EnergyTolerance         = 5E-10;
 
 OptionsStruct.JobNumber               = 1;
+OptionsStruct.RunOnGPU                = true;
 OptionsStruct.SaveData                = true;
 OptionsStruct.SaveDirectory           = './Data';
 options                               = Helper.convertstruct2cell(OptionsStruct);

Dipolar-Gas-Simulator/+Simulator/@DipolarGas/DipolarGas.m

@@ -20,9 +20,8 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
         
         SimulationParameters;
 
-        %Flags
-        
         JobNumber;
+        RunOnGPU;
         DebugMode;
         DoSave;
         SaveDirectory;
@@ -64,6 +63,8 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
                 @(x) assert(isnumeric(x) && isscalar(x) && (x > 0)));
             addParameter(p, 'JobNumber',                1,...
                 @(x) assert(isnumeric(x) && isscalar(x) && (x > 0)));
+            addParameter(p, 'RunOnGPU',        false,...
+                @islogical);
             addParameter(p, 'DebugMode',        false,...
                 @islogical);
             addParameter(p, 'SaveData',         false,...
@@ -88,6 +89,7 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
             this.MinimumTimeStepSize  = p.Results.MinimumTimeStepSize;
             
             this.JobNumber            = p.Results.JobNumber;
+            this.RunOnGPU             = p.Results.RunOnGPU;
             this.DebugMode            = p.Results.DebugMode;
             this.DoSave               = p.Results.SaveData;
             this.SaveDirectory        = p.Results.SaveDirectory;

Dipolar-Gas-Simulator/+Simulator/@DipolarGas/initialize.m

@@ -16,4 +16,8 @@ function [psi,V,VDk] = initialize(this,Params,Transf,TransfRad)
     
     % == Setting up the initial wavefunction == %
     psi = this.setupWavefunction(Params,Transf);
+    
+    if this.RunOnGPU
+        psi = gpuArray(psi);
+    end
 end

Dipolar-Gas-Simulator/bwhpc_matlab_gpe_sim_cpu.slurm

@@ -6,9 +6,9 @@
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=1
 #SBATCH --cpus-per-task=10
-#SBATCH --mem=8G 
+#SBATCH --mem=24G 
 # Estimated wallclock time for job
-#SBATCH --time=02:00:00
+#SBATCH --time=15:00:00
 #SBATCH --job-name=simulation 
 #SBATCH --error=simulation.err
 #SBATCH --output=simulation.out 

Dipolar-Gas-Simulator/bwhpc_matlab_gpe_sim_gpu.slurm

@@ -0,0 +1,38 @@
+#!/bin/bash 
+########### Begin SLURM header ###########
+#Partition
+#SBATCH --partition=single
+# Request number of nodes and GPU for job
+#SBATCH --nodes=1
+#SBATCH --ntasks-per-node=10
+#SBATCH --gres=gpu:4
+#SBATCH --mem=24G 
+# Estimated wallclock time for job
+#SBATCH --time=15:00:00
+#SBATCH --job-name=simulation 
+#SBATCH --error=simulation.err
+#SBATCH --output=simulation.out 
+
+########### End SLURM header ##########
+
+echo "Working Directory:                    $PWD"
+echo "Running on host                       $HOSTNAME"
+echo "Job id:                               $SLURM_JOB_ID"
+echo "Job name:                             $SLURM_JOB_NAME"
+echo "Number of nodes allocated to job:     $SLURM_JOB_NUM_NODES"
+echo "Number of GPUs allocated to job:      $SLURM_GPUS"
+
+
+# Load module 
+module load math/matlab/R2023a
+
+echo Directory is `pwd`
+echo "Initiating Job..."
+
+# Start a Matlab program
+matlab -nodisplay -nosplash -r "Scripts.run_on_cluster"
+
+# notice for tests
+echo "Job terminated successfully"
+
+exit