technical:recipes:gromacs-plumed

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technical:recipes:gromacs-plumed [2024-05-12 15:01] – [Scaling] bkangtechnical:recipes:gromacs-plumed [2024-05-12 15:03] (current) – [Scaling] bkang
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 ===== Scaling ===== ===== Scaling =====
  
-This is the wall time for the structure relaxation of silicon with respect to the number of cores. The wall time decreases with an increased number of cores.+This is the wall time for MD run of 41057 atom, and nsteps=10000 with metadynamics by combining Gromacs and Plumed. The wall time decreases with an increased number of cores.
  
 {{:technical:recipes:scale_gromacs_plumed.jpg?400|}} {{:technical:recipes:scale_gromacs_plumed.jpg?400|}}
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