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--- cluster:215 [2024/02/05 16:02]
hmeij07 [Python]
+++ cluster:215 [2024/03/14 11:00] (current)
hmeij07 [Miniconda3-py312]
@@ Line 12: / Line 12: @@
 https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#slurm\\
 https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#slurm_jobs
+===== Miniconda3-py312 =====
+  * module: miniconda3/py312
+  * Miniconda framework with python 3.12.1
+  * module show miniconda3/py312 will show you file to source if functions are needed
+  * https://pymol.org/conda/
+  * weirlab (sakkas)
+<code>
+module load miniconda3/py312
+conda list | grep pymol
+pymol                     3.0.0           py312h2dc6bc7_0    schrodinger
+pymol-bundle              3.0.0                         1    schrodinger
+pymol-web-examples        2.4                           1    schrodinger
+</code>
 ===== Crest/XTB =====
@@ Line 304: / Line 326: @@
 ===== Lammps =====
+  * module: lammps/7Feb2024
+  * supports openmp, feature release versus the normal stable release
+  * includes colloid class2 kspace misc molecule ml-pace reaction mc packages and gpu for cuda
+  * queues amber128 and test only (cuda 11.6)
   * module: lammps/25Apr2023

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