avoid error when multiple gpus are used

Author: AntonioMirarchi

torchmdnet/scripts/train.py

@@ -184,9 +184,9 @@ def main():
         auto_insert_metric_name=False,
     )
     early_stopping = EarlyStopping(val_loss_name, patience=args.early_stopping_patience)
-
+    
+    check_logs(args.log_dir)
     csv_logger = CSVLogger(args.log_dir, name="", version="")
-    check_logs(csv_logger)
     _logger = [csv_logger]
 
     if args.wandb_use:

torchmdnet/utils.py

@@ -398,10 +398,10 @@ def wrapped_init(self, *args, **kwargs):
     cls.__init__ = wrapped_init
     return cls
 
-def check_logs(csvlogger):
+def check_logs(log_dir):
     import os 
     import time
-    metr_file_path = csvlogger.experiment.metrics_file_path
+    metr_file_path = os.path.join(log_dir, 'metrics.csv')
     if os.path.exists(metr_file_path):
         # we make a backup of the metrics file (rename)
         bckp_date = f'{time.strftime("%Y%m%d")}-{time.strftime("%H%M%S")}'