Tag: md
Changing the Supercell Volume in LAMMPS
How to change the supercell volume during an NVE ensemble simulation in LAMMPS.
Which Is More Efficient for Scientific Computing: Using Only P-Cores or Both P and E-Cores?
Modern Intel CPUs are divided into P-cores and E-cores. I’m curious about the optimal way to run MPI for scientific computing — so I ran some tests.
