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cluster:232 [2026/01/29 21:00] – created hmeij07cluster:232 [2026/01/29 21:36] (current) – hmeij07
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 This is a fantastic forehead bang-on-desk exercise. So many applications wrapped together it is an enormous puzzle. I was greatly helped by following a recipe of student Max of the Starr Lab. Hopefully Max can report some performance results later as that was the driver to do this. This is a fantastic forehead bang-on-desk exercise. So many applications wrapped together it is an enormous puzzle. I was greatly helped by following a recipe of student Max of the Starr Lab. Hopefully Max can report some performance results later as that was the driver to do this.
  
-**Lampy**; I guess Lammps powered by Python.+**Lampy**; I guess Lammps powered by Python. I should have gone with **Lammpy** :-?
  
   * https://docs.lammps.org/Python_head.html   * https://docs.lammps.org/Python_head.html
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 Below is the adapted system wide install following Max's recipe. (I could not make the standalone work so we go with virtual env setup). Below is the adapted system wide install following Max's recipe. (I could not make the standalone work so we go with virtual env setup).
 +
 +  * module; lammps/28Jan2026 (just for "show" module, you must source the lampy python venv in your shell)
  
  
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  # create virtual env  # create virtual env
  mkdir lampy  mkdir lampy
 +# do this once
  python -m venv $PWD/lampy  python -m venv $PWD/lampy
 +# do this every time
  source $PWD/lampy/bin/activate  source $PWD/lampy/bin/activate
  
cluster/232.1769720405.txt.gz · Last modified: by hmeij07