Status of the QCDSP project

We describe the completed 8,192-node, 0.4Tflops machine at Columbia as well as the 12,288-node, 0.6Tflops machine assembled at the RIKEN Brookhaven Research Center. Present performance as well as our experience in commissioning these large machines is presented. We outline our on-going physics program and explain how the configuration of the machine is varied to support a wide range of lattice QCD problems, requiring a variety of machine sizes. Finally a brief discussion is given of future prospects for large-scale lattice QCD machines.Comment: LATTICE98(machines), 3 pages, 1 picture, 1 figur

Blue Matter: Strong Scaling of Molecular Dynamics

been issued as a Research Report for early dissemination of its contents. In view of the transfer of copyright to the outside publisher, its distribution outside of IBM prior to publication should be limited to peer communications and specific requests. After outside publication, requests should be filled only by reprints or legally obtained copies of the article (e.g., payment of royalties). Copies may be requested from IBM T. J. Watson Research Center, P

Blue Matter: Strong scaling of molecular dynamics on Blue Gene/L

Abstract. This paper presents strong scaling performance data for the Blue Matter molecular dynamics framework using a novel n-body spatial decomposition and a collective communications technique implemented on both MPI and low level hardware interfaces. Using Blue Matter on Blue Gene/L, we have measured scalability through 16,384 nodes with measured time per time-step of under 2.3 milliseconds for a 43,222 atom protein/lipid system. This is equivalent to a simulation rate of over 76 nanoseconds per day and represents an unprecedented timeto-solution for biomolecular simulation as well as continued speed-up to fewer than three atoms per node. On a smaller, solvated lipid system with 13,758 atoms, we have achieved continued speedups through fewer than one atom per node and less than 2 milliseconds/time-step. On a 92,224 atom system, we have achieved floating point performance of over 1.8 TeraFlops/second on 16,384 nodes. Strong scaling of fixed-size classical molecular dynamics of biological systems to large numbers of nodes is necessary to extend the simulation time to the scale required to make contact with experimental data and derive biologically relevant insights.