When the GPU is removed from the VM there is no longer support.
The first issue that arose was:
RuntimeError: Attempting to deserialize object on a CUDA device but torch.cuda.is_available() is False. If you are running on a CPU-only machine, please use torch.load with map_location=torch.device('cpu') to map your storages to the CPU.
so I edited DSDP_blind_docking.py under DrugMain to now have
if os.path.exists(model_cache_best):
if device.type == 'cuda':
network = torch.load(model_cache_best).to(device)
else:
network = torch.load(model_cache_best, map_location=torch.device('cpu')).to(device)
However now it just gives
Segmentation Fault after drug discovery >>> is printed.
Please update the code so it works on a CPU only machine with torch
When the GPU is removed from the VM there is no longer support.
The first issue that arose was:
RuntimeError: Attempting to deserialize object on a CUDA device but torch.cuda.is_available() is False. If you are running on a CPU-only machine, please use torch.load with map_location=torch.device('cpu') to map your storages to the CPU.so I edited DSDP_blind_docking.py under DrugMain to now have
However now it just gives
Segmentation Faultafterdrug discovery >>>is printed.Please update the code so it works on a CPU only machine with torch