Remove CUDA_VISIBLE_DEVICES setting

openfold/data/mmcif_parsing.py

@@ -476,7 +476,7 @@ def get_atom_coords(
         all_atom_mask[res_index] = mask
 
     if zero_center:
-        binary_mask = all_atom_mask.astype(np.bool)
+        binary_mask = all_atom_mask.astype(bool)
         translation_vec = all_atom_positions[binary_mask].mean(axis=0)
         all_atom_positions[binary_mask] -= translation_vec
 

train_openfold.py

@@ -2,7 +2,7 @@ import argparse
 import logging
 import os
 
-os.environ["CUDA_VISIBLE_DEVICES"] = "4,5"
+#os.environ["CUDA_VISIBLE_DEVICES"] = "0"
 #os.environ["MASTER_ADDR"]="10.119.81.14"
 #os.environ["MASTER_PORT"]="42069"
 #os.environ["NODE_RANK"]="0"