Add scripts

src/script_optimize_structures.sh

@@ -0,0 +1,16 @@
+#!/bin/bash
+
+NUM_LAYERSS='2 4 6 8'
+NUM_INIT=10
+NUM_ITER=500
+
+for NUM_LAYERS in $NUM_LAYERSS
+do
+    for SEED in $(seq 42 42 420)
+    do
+        echo $NUM_LAYERS $NUM_INIT $NUM_ITER $SEED
+
+        sbatch slurm_optimize_structures.sh $NUM_LAYERS $NUM_INIT $NUM_ITER $SEED
+        sleep 0.1s
+    done
+done

src/slurm_optimize_structures.sh

@@ -0,0 +1,27 @@
+#!/bin/bash
+#SBATCH --nodes=1
+#SBATCH --ntasks-per-node=4
+#SBATCH --cluster=smp
+#SBATCH --partition=smp
+#SBATCH --constraint=intel
+#SBATCH --time=144:00:00
+#SBATCH --qos=long
+#SBATCH [email protected]
+#SBATCH --mail-type=TIME_LIMIT
+#SBATCH --job-name=optimize-structures
+#SBATCH -o ../outputs/output.%j.out
+
+
+source ../script_prerun.sh
+
+NUM_LAYERS=$1
+NUM_INIT=$2
+NUM_ITER=$3
+SEED=$4
+
+echo $NUM_LAYERS $NUM_INIT $NUM_ITER $SEED
+
+python optimize_structures.py --num_layers $NUM_LAYERS --num_init $NUM_INIT --num_iter $NUM_ITER --seed $SEED
+
+echo $''
+crc-job-stats