Update job scripts

Author: theo-brown

examples/ecrh_q_optimisation/job_scripts/bezier.sbatch

@@ -1,5 +1,5 @@
 #!/bin/bash
-#SBATCH -J bezier
+#SBATCH -J BezVec
 #SBATCH -A UKAEA-AP002-CPU
 #SBATCH -p icelake
 #SBATCH --output=%x_%j.out
@@ -23,27 +23,38 @@ unset OMP_NUM_THREADS
 # Fix CUDA error
 LD_LIBRARY_PATH=$CONDA_PREFIX/lib/python3.10/site-packages/nvidia/cublas/lib/:$LD_LIBRARY_PATH
 
+# Parameters
+N_SOBOL_STEPS=1
+let "N_SOBOL_SAMPLES = $SLURM_CPUS_PER_TASK * $N_SOBOL_STEPS"
+let "N_BAYESOPT_STEPS = 8 - $N_SOBOL_STEPS"
+
 # Directory structure
 cd /home/tab53/rds/rds-ukaea-ap002-mOlK9qn0PlQ/tab53/jetto-mobo/examples/ecrh_q_optimisation
-OUTPUT_DIR="data/bezier"
+OUTPUT_DIR=data/vector/bezier_fail0.3_batch32
 
 # Save command as a variable, using 'here document' syntax
 read -r -d '' COMMAND <<- EOM
 $CONDA_PREFIX/bin/python main.py \
---batch_size 30 \
---initial_batch_size 30 \
---n_iterations 16 \
+--batch_size $SLURM_CPUS_PER_TASK \
+--initial_batch_size $N_SOBOL_SAMPLES \
+--n_iterations $N_BAYESOPT_STEPS \
 --output_dir $OUTPUT_DIR \
 --parameterisation bezier \
 --n_parameters 10 \
---alpha 0.05
+--jetto_fail_value 0.3 \
+--alpha 0.01
 EOM
 
 # Resume if target directory exists
 if [ -d "$OUTPUT_DIR" ]; then
     COMMAND="$COMMAND --resume"
+else 
+    mkdir -p $OUTPUT_DIR
 fi
 
+# Save command to file
+echo "$COMMAND" > $OUTPUT_DIR/command.txt
+
 # Execute
 echo "Executing command: $COMMAND"
 eval $COMMAND

examples/ecrh_q_optimisation/job_scripts/bezier_sobol.sbatch

@@ -0,0 +1,60 @@
+#!/bin/bash
+#SBATCH -J BezVec
+#SBATCH -A UKAEA-AP002-CPU
+#SBATCH -p icelake
+#SBATCH --output=%x_%j.out
+#SBATCH --nodes=1
+#SBATCH --ntasks=1
+#SBATCH --cpus-per-task=32
+#SBATCH --time=24:00:00
+#SBATCH --mail-type=ALL
+
+# Set up environment
+. /etc/profile.d/modules.sh
+module purge
+module load rhel8/default-icl
+module load miniconda/3
+source /home/tab53/.bashrc
+conda activate jetto-mobo
+
+# Allow Pytorch to multithread
+unset OMP_NUM_THREADS
+
+# Fix CUDA error
+LD_LIBRARY_PATH=$CONDA_PREFIX/lib/python3.10/site-packages/nvidia/cublas/lib/:$LD_LIBRARY_PATH
+
+# Parameters
+N_SOBOL_STEPS=1
+let "N_SOBOL_SAMPLES = $SLURM_CPUS_PER_TASK * $N_SOBOL_STEPS"
+let "N_BAYESOPT_STEPS = 8 - $N_SOBOL_STEPS"
+
+# Directory structure
+cd /home/tab53/rds/rds-ukaea-ap002-mOlK9qn0PlQ/tab53/jetto-mobo/examples/ecrh_q_optimisation
+OUTPUT_DIR=data/vector/bezier_sobol_batch32
+
+# Save command as a variable, using 'here document' syntax
+read -r -d '' COMMAND <<- EOM
+$CONDA_PREFIX/bin/python main.py \
+--batch_size $SLURM_CPUS_PER_TASK \
+--initial_batch_size $N_SOBOL_SAMPLES \
+--n_iterations $N_BAYESOPT_STEPS \
+--output_dir $OUTPUT_DIR \
+--parameterisation bezier \
+--sobol_only \
+--n_parameters 10 \
+--discard_failures
+EOM
+
+# Resume if target directory exists
+if [ -d "$OUTPUT_DIR" ]; then
+    COMMAND="$COMMAND --resume"
+else 
+    mkdir -p $OUTPUT_DIR
+fi
+
+# Save command to file
+echo "$COMMAND" > $OUTPUT_DIR/command.txt
+
+# Execute
+echo "Executing command: $COMMAND"
+eval $COMMAND

examples/ecrh_q_optimisation/job_scripts/piecewise_linear.sbatch

@@ -1,5 +1,5 @@
 #!/bin/bash
-#SBATCH -J piecewise_linear
+#SBATCH -J PiLiVec
 #SBATCH -A UKAEA-AP002-CPU
 #SBATCH -p icelake
 #SBATCH --output=%x_%j.out
@@ -23,25 +23,37 @@ unset OMP_NUM_THREADS
 # Fix CUDA error
 LD_LIBRARY_PATH=$CONDA_PREFIX/lib/python3.10/site-packages/nvidia/cublas/lib/:$LD_LIBRARY_PATH
 
+# Parameters
+N_SOBOL_STEPS=1
+let "N_SOBOL_SAMPLES = $SLURM_CPUS_PER_TASK * $N_SOBOL_STEPS"
+let "N_BAYESOPT_STEPS = 8 - $N_SOBOL_STEPS"
+
 # Directory structure
 cd /home/tab53/rds/rds-ukaea-ap002-mOlK9qn0PlQ/tab53/jetto-mobo/examples/ecrh_q_optimisation
-OUTPUT_DIR="data/piecewise_linear"
+OUTPUT_DIR=data/vector/piecewise_linear_fail0.3_2
 
 # Save command as a variable, using 'here document' syntax
 read -r -d '' COMMAND <<- EOM
 $CONDA_PREFIX/bin/python main.py \
---batch_size 30 \
---initial_batch_size 30 \
+--batch_size $SLURM_CPUS_PER_TASK \
+--initial_batch_size $N_SOBOL_SAMPLES \
+--n_iterations $N_BAYESOPT_STEPS \
 --output_dir $OUTPUT_DIR \
 --parameterisation piecewise_linear \
+--jetto_fail_value 0.3 \
 --alpha 0.01
 EOM
 
 # Resume if target directory exists
 if [ -d "$OUTPUT_DIR" ]; then
     COMMAND="$COMMAND --resume"
+else 
+    mkdir -p $OUTPUT_DIR
 fi
 
+# Save command to file
+echo "$COMMAND" > $OUTPUT_DIR/command.txt
+
 # Execute
 echo "Executing command: $COMMAND"
 eval $COMMAND

examples/ecrh_q_optimisation/job_scripts/piecewise_linear_sobol.sbatch

@@ -0,0 +1,59 @@
+#!/bin/bash
+#SBATCH -J PiLiVec
+#SBATCH -A UKAEA-AP002-CPU
+#SBATCH -p icelake
+#SBATCH --output=%x_%j.out
+#SBATCH --nodes=1
+#SBATCH --ntasks=1
+#SBATCH --cpus-per-task=32
+#SBATCH --time=24:00:00
+#SBATCH --mail-type=ALL
+
+# Set up environment
+. /etc/profile.d/modules.sh
+module purge
+module load rhel8/default-icl
+module load miniconda/3
+source /home/tab53/.bashrc
+conda activate jetto-mobo
+
+# Allow Pytorch to multithread
+unset OMP_NUM_THREADS
+
+# Fix CUDA error
+LD_LIBRARY_PATH=$CONDA_PREFIX/lib/python3.10/site-packages/nvidia/cublas/lib/:$LD_LIBRARY_PATH
+
+# Parameters
+N_SOBOL_STEPS=1
+let "N_SOBOL_SAMPLES = $SLURM_CPUS_PER_TASK * $N_SOBOL_STEPS"
+let "N_BAYESOPT_STEPS = 8 - $N_SOBOL_STEPS"
+
+# Directory structure
+cd /home/tab53/rds/rds-ukaea-ap002-mOlK9qn0PlQ/tab53/jetto-mobo/examples/ecrh_q_optimisation
+OUTPUT_DIR=data/vector/piecewise_linear_sobol_2
+
+# Save command as a variable, using 'here document' syntax
+read -r -d '' COMMAND <<- EOM
+$CONDA_PREFIX/bin/python main.py \
+--batch_size $SLURM_CPUS_PER_TASK \
+--initial_batch_size $N_SOBOL_SAMPLES \
+--n_iterations $N_BAYESOPT_STEPS \
+--output_dir $OUTPUT_DIR \
+--parameterisation piecewise_linear \
+--sobol_only \
+--discard_failures
+EOM
+
+# Resume if target directory exists
+if [ -d "$OUTPUT_DIR" ]; then
+    COMMAND="$COMMAND --resume"
+else 
+    mkdir -p $OUTPUT_DIR
+fi
+
+# Save command to file
+echo "$COMMAND" > $OUTPUT_DIR/command.txt
+
+# Execute
+echo "Executing command: $COMMAND"
+eval $COMMAND