Computational Modeling Resources

High-Performance Computers

  • Bluemoon supercomputer from Vermont Advanced Computing Center (414-Opteron processors, Linux 64bit, Myrinet, as of April 2008). We make extensive use of this cluster.

  • Home-built Xi cluster. 20-AMD/Opteron64 processor cluster with Linux operating system, MPI, Absoft ProFortran/C compiler (built on Summer 2004). Just for limited use.

    Xi home-built cluster in the College of Engineering and Mathematical Sciences (2004)


  • One Dell Precision 670n with dual-core Intel Xeon EMT64 2.8GHz processor, 70 Gb hard drive, RedHat Linux Enterprise Advanced Workstation, v4 operating system.

  • One Dell Precision M60 Mobile workstation with Intel Pentium M 1.6 GHz processor, 40 Gb hard drive capacity and dual boot Linux AW 3/W indows XP operating system.

  • Two Dell Precision 650 workstations with dual Intel Xeon 3.2 GHz processors, 109 Gb hard drive capacity and Linux Advanced Workstation v3 operating system.

  • One Gateway workstation with Intel Pentium 4 processor, 60 Gb hard drive capacity and Windows XP operating systems (used as AFM acquisition computer).

Dual-core processor Linux-based workstation for computational materials modeling


  • Absoft ProFortran 90/95 v8.2-10

  • Tecplot 10.6 vizualisation software

  • The Quasicontinuum Method from E. Tadmor and R. Miller (mixed finite element and atomistic modeling).

  • LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) from Steve Plimpton, Sandia National Lab.

  • SIESTA (A Linear Scaling Density Functional Method) from the Spanish Initiative for Electronic Simulations with Thousand of Atoms); CPMD (Car-Parinello Molecular Dynamics)..

  • SPIP from Image Metrology for AFM post-image analysis.
© 2006, F. Sansoz - The University of Vermont - Burlington, VT, 05405