Pin CUDA Toolkit and PyTorch

openmm · Jun 3, 2022 · 1029191 · 1029191
1 parent 039027e
commit 1029191
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/tutorials/openmm-torch-nnpops.ipynb b/tutorials/openmm-torch-nnpops.ipynb
@@ -84,7 +84,8 @@
       "source": [
         "!conda install -q -c conda-forge \\\n",
         "               openmm-torch nnpops torchani openmmtools \\\n",
-        "               &> /dev/null # Comment this line to see a log"
+        "               pytorch=1.11 cudatoolkit=11.2 \\\n",
+        "               &> /dev/null # Comment this line to see a log\""
       ]
     },
     {