MDBNCH: A molecular dynamics benchmark

Here is the current table of results (last update: 4 June 1999).

More informations on MDBNCH:

• 1. Molecular dynamics and MDBNCH
  • 1.1 What is molecular dynamics?
  • 1.2 The nature of molecular dynamics codes
  • 1.3 History of MDBNCH
  • 1.4 What does MDBNCH do?
  • 1,5 What to do with MDBNCH results
  • 1.6 What NOT to do with MDBNCH results

• 2. Practical guide for getting timing results
  • 2.1 Getting the source
  • 2.2 Compiling
  • 2.3 Running and measuring the execution time
  • 2.4 Verifying the output
  • 2.5 Reporting data
  • 2.6 Comparing with SPEC CPU 95 results

Other benchmarking information

• BenchWeb
• The benchmark directory of netlib. In particular, the file performance.ps.Z contains the latest Linpack report by Jack Dongarra's group
• SPEC website, including SPEC CPU95 results
• Performance Database Server at UTK, including SPEC, and the SPEC FAQ
• John DiMarco's unofficial SPEC table
• Benchmark page at CSRD, U of Illinois (Perfect Benchmarks)
• Benchmark page at EPFL (Lausanne)
• Benchmark page at Yahoo
• NCSA Software Performance home page
• Benchmark resources page
• Linux Benchmarking Project, and Linux Benchmarking HOWTO by André D. Balsa
• CERN benchmarking project
• Al Aburto's benchmarks
• John McCalpin's Stream benchmark
• Nhuân ÐôÐuc's benchmark
• I/O benchmarks
• WWW servers of some computer manufacturers: DEC, HP, IBM (RS/6000,AIX), IBM (general), Intel (parallel systems), SGI (and Cray, MIPS), Sun (and Sparc)
• A guide to high-performance microprocessor resources
• CPU Info Center and Next generation CPU's
• The FAQ file of the Usenet group comp.benchmarks
• The comp.benchmarks Usenet group itself

Fortran

• Walt Brainerd and Chuck Ritz's Fortran Market, pointing to all kinds of Fortran-related services
• John Prentice's benchmarks for Fortran 90 compilers
• Home pages of Fortran 90 compilers by DEC, HP, SGI, SGI/Cray, Sun

Molecular dynamics and molecular modeling

• A molecular dynamics primer, with examples in Fortran 90
• Interatomic potentials
• Molecular modeling (CMM/NIH)
• Force fields overview
• Modeling biological macromolecules
• Computation chemistry links
• Molecular Dynamics pointers collected at MIT
• Molecular Modeling group at the University of Sassari
• Center for Materials Simulation at the U. of Connecticut

Tens or hundreds of thousands of atoms to draw? Have a look at BallRoom!