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--- cluster:215 [2023/11/16 13:58]
hmeij07 [Miniconda3-py311]
+++ cluster:215 [2023/11/22 18:22]
hmeij07 [Miniconda3-py311]
@@ Line 120: / Line 120: @@
 </code>
- * **mdtraj, matplotlib, pandas**
+  * **mdtraj, matplotlib, pandas**
 <code>
@@ Line 132: / Line 132: @@
 >>> import mdtraj as mt
 >>>
+</code>
+    * ** hoomd, cuda **
+    * hoomd v4.3.0 with cuda toolkit 11.6
+    * https://hoomd-blue.readthedocs.io/en/latest/installation.html
+<code>
+module load cuda/11.6
+which nvcc
+echo $CUDA_HOME
+module load miniconda3/py311
+export CONDA_OVERRIDE_CUDA="11.6"
+which conda
+conda install "hoomd=4.3.0=*gpu*" "cuda-version=11.6"
+cudatoolkit               11.6.0               habf752d_9    nvidia
+hoomd                     4.3.0           gpu_py311h29f6c8a_0    conda-forge
+# starrlab
 </code>

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