On the Path to Enable Multi-scale Biomolecular Simulations on PetaFLOPS Supercomputer with Multi-core Processors

1 Biological processes occurring inside cell involve multiple scales of time and length; many popular theoretical and computational multi-scale techniques utilize biomolecular simulations based on molecular dynamics. Till recently, the computing power required for simulating the relevant scales was even beyond the reach of fastest supercomputers. The availability of petaFLOPS-scale computing power in near future holds great promise. Unfortunately, the bio-simulations software technology has not kept up with the changes in hardware. In particular, with

• Type: Conference
• Year: 2007
• Where: IPPS
• Authors: Sadaf R. Alam, Pratul K. Agarwal
• Keywords: Computational Multi-scale Techniques, Computing Power, Distributed And Parallel Computing, Involve Multiple Scales, IPPS 2007