FMD-PA

From HP-SEE Wiki

Revision as of 14:53, 4 July 2011 by Mpapad (Talk | contribs)
Jump to: navigation, search

Contents

General Information

  • Virtual Research Communities : Computational Chemistry Applications
  • Scientific contact : Name Surname, e-mail
  • Technical contact : Name Surname, e-mail
  • Developers : Computational Chemistry Group of NHRF, Greece
  • Web site : http://tobefilledin/

Application and Short Description

Tobefilledin

Problems Solved

Tobefilledin

Scientific and Social Impact

Tobefilledin

Collaborations and Beneficiaries

Tobefilledin

Technical features and HP-SEE implementation

Tobefilledin

Usage Example

  • Primary programming language : Fortran
  • Parallel programming paradigm : OpenMP, MPI
  • Main parallel code : Gaussian09, NWChem
  • Pre/post processing code : Self-written codes and scripts
  • Application tools and libraries : -
  • Number of cores required : 16 - 128
  • Minimum RAM/core required : 0.5 GB
  • Storage space during a single run : 20 - 50 GB
  • Long-term data storage : 2 - 5 GB

Publications and Presentations

Tobefilledin

Retrieved from "http://hpseewiki.ipb.ac.rs/index.php/FMD-PA"
Personal tools