Tag: lab_notes

Changing the Supercell Volume in LAMMPS

Changing the Supercell Volume in LAMMPS

How to change the supercell volume during an NVE ensemble simulation in LAMMPS.

lab_notesmd

Which Is More Efficient for Scientific Computing: Using Only P-Cores or Both P and E-Cores?

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.

lab_notessimulationmd

Installing Slurm on a Single Workstation (Ubuntu 24.04, Ultra-Simple Setup Without Authentication)

Installing Slurm on a Single Workstation (Ubuntu 24.04, Ultra-Simple Setup Without Authentication)

Notes on installing Slurm on Ubuntu 24.04. Since this is for personal use only, it's set up in a super minimal configuration without authentication.

lab_notessimulation

Installing LAMMPS on Ubuntu 24.04

Installing LAMMPS on Ubuntu 24.04

Notes on installing LAMMPS on Ubuntu 24.04

lab_notesmd

Installing LAMMPS on Mac

Installing LAMMPS on Mac

Just installing LAMMPS on a Mac

lab_notesmd

From Installing to Setting Up Ubuntu 24.04

From Installing to Setting Up Ubuntu 24.04

Notes from when I installed Ubuntu 24.04

lab_notessimulation