Protein Folding and the IBM BlueGene Supercomputer
نویسنده
چکیده
Understanding how proteins fold is an important step in uncovering the mysteries of protein function. To date, the computational resources needed to simulate even the shortest and simplest protein folds have been astronomical. Simulation of larger and more complex folds has been prohibitively expensive. In 1999, IBM announced the start of an effort to build a supercomputer, the BlueGene, to be applied to biomolecular problems such as protein folding. This paper provides an overview of the problem of protein folding, a description of IBM’s BlueGene project, and what we may hope to gain once the machine is fully operational.
منابع مشابه
Implementing Optimized Collective Communication Routines on the IBM BlueGene/L Supercomputer
BlueGene/L is a massively parallel supercomputer that is currently the fastest in the world. Implementing MPI, and especially fast collective communication operations can be challenging on such an architecture. In this paper, I will present optimized implementations of MPI collective algorithms on the BlueGene/L supercomputer and show performance results compared to the default MPICH2 algorithm...
متن کاملSolving scheduling problems using parallel message-passing based constraint programming
We discuss some of the engineering challenges in implementing a constraint programming based scheduling engine to scale well on massively parallel computer hardware. In particular, we have been targeting our solvers to work in high performance computer environments such as the IBM BlueGene/P supercomputer. On such hardware parallelism is enabled at the software level using message passing, base...
متن کاملDesign and Analysis of the BlueGene/L Torus Interconnection Network
BlueGene/L (BG/L) is a 64K (65,536) node scientific and engineering supercomputer that IBM is developing with partial funding from the United States Department of Energy. This paper describes one of the primary BG/L interconnection networks, a three dimensional torus. We describe a parallel performance simulator that was used extensively to help architect and design the torus network and presen...
متن کاملAutomatically Tuned FFTs for BlueGene/L's Double FPU
IBM is currently developing the new line of BlueGene/L supercomputers. The top-of-the-line installation is planned to be a 65,536 processors system featuring a peak performance of 360 Tflop/s. This system is supposed to lead the Top 500 list when being installed in 2005 at the Lawrence Livermore National Laboratory. This paper presents one of the first numerical kernels run on a prototype BlueG...
متن کاملTwists and turns in protein folding
to make the best possible use of the bounty of genome information that is becoming available at an ever increasing pace. If only one could feed each new sequence into a computer and let it wriggle the polypeptide chain about in silico, to see what three-dimensional structure it ends up with, the proteins encoded by the genomes already sequenced would soon become an open book. But sadly, althoug...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2002