Primeur magazine

Edition: flash - Issue: 2016-07-29

Industry news

The "International Conference for High Performance Computing, Networking, Storage and Analysis" SC16, this year in Salt Lake City is not very international in its organisation yet. Almost 80% (78,1%) of the organising committee members are from the US. This can be seen from the diversity numbers that the organisation published. There are in total 512 people serving on SC16 committees. Over 1/3 of the committee members are women. Read further...
Bored with the summer holiday? And in Canada? Invent a new name for one of the four new HPC systems in the country. Deadline August 12. Read further...

Exascale

Linda Barney gives an overview of the use and development of the GAMESS software package in an article "Modern Quantum Chemistry Research Possible Because of Supercomputers, HPC Software" in Scientific Computing. "GAMESS can perform a number of general computational chemistry calculations, including Hartree–Fock, density functional theory (DFT), generalized valence bond (GVB), and multi-configurational self-consistent field (MCSCF) energies and Hartree-Fock Hessians. GAMESS code also includes newer methods in quantum mechanics, including approaches for extrapolating to the full CI and complete basis set limits, novel methods for CASSCF calculations, new coupled cluster techniques, methods for evaluating non-adiabatic and relativistic interactions, new approaches for distributed parallel computing, and QM/MM methods for describing solvent effects and surface science", she writes. Read further...