Crashes with sm_120 GPUs

[Shirosaru]

Just get the following for the new Nvidia GPUs. Older one works fine
Should I try and go into to the docker image and update Tinker?

[Errno 32] Broken pipe
[Errno 32] Broken pipe
[Errno 32] Broken pipe
[Errno 32] Broken pipe
Solvent dynamic component Tinker terminated abnormally, cannot proceed.

[ElwynWang]

Could you show more details, e.g., commands, logs?

[Shirosaru]

./ai2bmd --prot-file chig.pdb --preprocess-dir chig_preprocessed --preeq-steps 0 --sim-steps 1000 --record-per-steps 1
Launching AI2BMD with Docker: docker run -w /mnt/home2/AI2BMD --gpus all --rm -v /home2/AI2BMD:/mnt/home2/AI2BMD -v /home2/AI2BMD/chig_preprocessed:/mnt/home2/AI2BMD/chig_preprocessed ghcr.io/microsoft/ai2bmd:latest python -u /ai2bmd/main.py --prot-file /mnt/home2/AI2BMD/chig.pdb --preeq-steps 0 --sim-steps 1000 --record-per-steps 1 --base-dir /mnt/home2/AI2BMD
DeviceStrategy: setting strategy to [small-molecule / combined]
Preprocessing step already done, skip...
run_preprocess takes 0.0030083656311035156 seconds
Loading models...
Start simulation for 1000 steps
[Errno 104] Connection reset by peer
[Errno 32] Broken pipe

...

[Errno 32] Broken pipe
[Errno 32] Broken pipe
[Errno 32] Broken pipe
[Errno 32] Broken pipe
[Errno 32] Broken pipe
[Errno 32] Broken pipe
[Errno 32] Broken pipe
[Errno 32] Broken pipe
Solvent dynamic component Tinker terminated abnormally, cannot proceed.

[ElwynWang]

It seems that the current version doesn't support the new GPUs you used during compiling.