what

Liora Eissenstat Dielectric Tensor calculation
[VASP - runs on TAMNUN]

Yuval Elbaz DFT calculation of hydrogen diffusion
[VASP -runs on TAMNUN]

Michael Nagli Density functional theory investigation of
electronic and elastic properties of Ni(OH)2.
[VASP, Python - runs on TAMNUN]

Sharon Rechnitz Electronic Density of CNT
with attached Molecules
[QuantumEspresso - runs on TAMNUN]

Ahmad Kiswani
Lattice Boltzman algorithm
[Lattice-Boltzman with GPU] U/G project with JA - complete. runs on phelafelnew and phony5

Gal Nissim
Simulating water waves using F.E.M.
[MATLAB on CPU/GPU] runs on new phelafel

2016 - 2017 CLASS - DFT projects, HPC and GPU

  • This years' final topics included parallel coding and use of our parallel cluster computer (TAMNUN as mentioned in the project website descriptions.)
  • Both simple codes that used MPI communications and the use of complicated ``canned'' codes were covered as more than half the class wanted projects on these topics.
  • Emphasis this year was on DFT projects (DFT standing for Density Functional Theory which is an approxiate way to solve the Schroedinger equation to calculate electronic density.) (3 VASP projects as students from a group that uses VASP, see VASP/Mayavi comparison with AViz. One QuantumEspresso from my group.)
  • I use material I have developed myself for this unit that covers MPI and the PBS queue submission system. It is linked here
  • I also taught some coding for GPUs for the first time, based on two projects (one class, one undergraduate) on GPUs proposed in order to provide this material.
  • The two GPU projects that appeared on the 2016 list a few slides ago are shown again at lower left. One will be presented in detail tommorrow, .