wiki.chpc.ac.za

User Tools

Site Tools

You are here: start » acelab » lammps
Trace:
acelab:lammps

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision 		Previous revision
acelab:lammps [2015/09/02 11:54]
mcawood 		acelab:lammps [2021/12/09 16:42] (current)
Line 1: Line 1:
-==General Info==+===General Info===
  
 LAMMPS ("Large-scale Atomic/Molecular Massively Parallel Simulator") is a molecular dynamics program from Sandia National Laboratories.  LAMMPS makes use of MPI for parallel communication and is free, open-source software, distributed under the terms of the GNU General Public License. [[https://en.wikipedia.org/wiki/LAMMPS|source]] LAMMPS ("Large-scale Atomic/Molecular Massively Parallel Simulator") is a molecular dynamics program from Sandia National Laboratories.  LAMMPS makes use of MPI for parallel communication and is free, open-source software, distributed under the terms of the GNU General Public License. [[https://en.wikipedia.org/wiki/LAMMPS|source]]
  
-==Useful Links==+===Useful Links===
  
 Developer's Benchmarks [[http://lammps.sandia.gov/bench.html]] \\ Developer's Benchmarks [[http://lammps.sandia.gov/bench.html]] \\
 HPCAC Best Practices [[http://www.hpcadvisorycouncil.com/pdf/LAMMPS_Best_Practice.pdf]] HPCAC Best Practices [[http://www.hpcadvisorycouncil.com/pdf/LAMMPS_Best_Practice.pdf]]
  
-==Installation Guide==+===Installation Guide===
  
 Setup environment: Setup environment:
Line 30: Line 30:
   cd tar   cd tar
  
-===Building the benchmark===+==Building the benchmark==
  
 Download the LAMMPS source (15 May 2015) here: [[http://www.ace.chpc.ac.za/tars/lammps-stable.tar.gz|lammps-stable.tar.gz]] Download the LAMMPS source (15 May 2015) here: [[http://www.ace.chpc.ac.za/tars/lammps-stable.tar.gz|lammps-stable.tar.gz]]
Line 59: Line 59:
   cp lmp_intel_cpu ../bench   cp lmp_intel_cpu ../bench
  
-===Building CUDA GPU Benchmark===+==Building CUDA GPU Benchmark==
  
 Build this binary using the python script: Build this binary using the python script:
Line 103: Line 103:
   cp lmp_cuda ../   cp lmp_cuda ../
      
-==Benchmark==+===Benchmark===
  
 The stock "3d Lennard-Jones melt" test problem is used as a benchmark for this code. The stock "3d Lennard-Jones melt" test problem is used as a benchmark for this code.
/app/dokuwiki/data/attic/acelab/lammps.1441187678.txt.gz · Last modified: 2021/12/09 16:42 (external edit)

Page Tools

Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Noncommercial-Share Alike 3.0 Unported
CC Attribution-Noncommercial-Share Alike 3.0 Unported Donate Powered by PHP Valid HTML5 Valid CSS Driven by DokuWiki