some conveniences

job.sub

@@ -2,12 +2,11 @@
 #SBATCH --job-name=Si2V
 #SBATCH --nodes=1
 #SBATCH --ntasks=1
-#SBATCH --cpus-per-task=1
+#SBATCH --cpus-per-task=16
 #SBATCH --gres=gpu:rtx-6000ada:4
 #SBATCH --time=100:00:00
 #SBATCH --output=/home/swim/slurm-logs/job_%j.log
 
-echo "2V"
 pwd
 hostname
 date
@@ -18,8 +17,10 @@ export LD_LIBRARY_PATH=/usr/local/cuda-11.4/lib64:$LD_LIBRARY_PATH
 
 source /home/swim/bo-ptycho/venv/bin/activate
 
-cat config.yaml
-python -u main.py config.yaml
+YAML="config.yaml"
+
+cat $YAML
+python -u main.py $YAML
 
 date
 echo "SLURM JOB FINISHED"

main.py

@@ -1,6 +1,7 @@
 import os
 import sys
 import yaml
+import shutil
 
 import pipelines
 
@@ -8,6 +9,12 @@ def main(config_yaml):
     with open(config_yaml, 'r') as f:
         config = yaml.safe_load(f)
 
+    result_dir = config["io"]["result_dir"]
+    if os.path.exists(result_dir):
+        shutil.rmtree(result_dir)
+    os.makedirs(result_dir, exist_ok=True)
+    shutil.copy(config_yaml, os.path.join(result_dir, os.path.basename(config_yaml)))
+
     pipelines.job_types[config['job']['type']](config)