Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

Today's data centers may contain tens of thousands of computers with significant aggregate bandwidth requirements. The network architecture typically consists of a tree of routing and switching elements with progressively more specialized and expensive equipment moving up the network hierarchy. Unfortunately, even when deploying the highest-end IP switches/routers, resulting topologies may only support 50% of the aggregate bandwidth available at the edge of the network, while still incurring tremendous cost. Non-uniform bandwidth among data center nodes complicates application design and limits overall system performance.In this paper, we show how to leverage largely commodity Ethernet switches to support the full aggregate bandwidth of clusters consisting of tens of thousands of elements. Similar to how clusters of commodity computers have largely replaced more specialized SMPs and MPPs, we argue that appropriately architected and interconnected commodity switches may deliver more performance at less cost than available from today's higher-end solutions. Our approach requires no modifications to the end host network interface, operating system, or applications; critically, it is fully backward compatible with Ethernet, IP, and TCP.

/pdf/a-scalable-commodity-data-center-network-architecture-5evikm9tu4.pdf

A scalable, commodity data center network architecture

Power dissipation is a fundamental problem for nanoelectronic circuits. Scaling the supply voltage reduces the energy needed for switching, but the field-effect transistors (FETs) in today's integrated circuits require at least 60 mV of gate voltage to increase the current by one order of magnitude at room temperature. Tunnel FETs avoid this limit by using quantum-mechanical band-to-band tunnelling, rather than thermal injection, to inject charge carriers into the device channel. Tunnel FETs based on ultrathin semiconducting films or nanowires could achieve a 100-fold power reduction over complementary metal-oxide-semiconductor (CMOS) transistors, so integrating tunnel FETs with CMOS technology could improve low-power integrated circuits.

Tunnel field-effect transistors as energy-efficient electronic switches

Concern about the performance of wires wires in scaled technologies has led to research exploring other communication methods. This paper examines wire and gate delays as technologies migrate from 0.18-/spl mu/m to 0.035-/spl mu/m feature sizes to better understand the magnitude of the the wiring problem. Wires that shorten in length as technologies scale have delays that either track gate delays or grow slowly relative to gate delays. This result is good news since these "local" wires dominate chip wiring. Despite this scaling of local wire performance, computer-aided design (CAD) tools must still become move sophisticated in dealing with these wires. Under scaling, the total number of wires grows exponentially, so CAD tools will need to handle an ever-growing percentage of all the wires in order to keep designer workloads constant. Global wires present a more serious problem to designers. These are wires that do not scale in length since they communicate signals across the chip. The delay of these wives will remain constant if repeaters are used meaning that relative to gate delays, their delays scale upwards. These increased delays for global communication will drive architectures toward modular designs with explicit global latency mechanisms.

The future of wires

Steep subthreshold swing transistors based on interband tunneling are examined toward extending the performance of electronics systems. In particular, this review introduces and summarizes progress in the development of the tunnel field-effect transistors (TFETs) including its origin, current experimental and theoretical performance relative to the metal-oxide-semiconductor field-effect transistor (MOSFET), basic current-transport theory, design tradeoffs, and fundamental challenges. The promise of the TFET is in its ability to provide higher drive current than the MOSFET as supply voltages approach 0.1 V.

/pdf/low-voltage-tunnel-transistors-for-beyond-cmos-logic-3w5c8knrc5.pdf

Low-Voltage Tunnel Transistors for Beyond CMOS Logic

Method for and apparatus were fans and cable placed at the ends at the same end of a computer rack drawer. The cable ends are located between the fans and the computing elements. The bulk length of each cable passes through the region where the fans are located. Air, and optionally EMI, sealing are provided by an elastic material near the fans. In this way cables could exit the same tailstock of the drawer where fans are located. The cable ends can receive good cooling, and the distance between the cable ends and computing elements of the drawer is not lengthened by the fan position.

Fans in series with cable plug interfaces

The design of high performance computers (also known as supercomputers), and increasing any new computer we think about, has a strong focus on system power delivery and regulation - from the wall plug to the contacts on the processor die. I will explain what we look for in a design, what past solutions we have used, and what ideas we are considering for our next systems.

Power systems for current and future high performance computers

An extensive study of crosstalk simulation issues for on-chip interconnections was performed for representative six-layer Al(Cu) structures. Guidelines are given for the range of conditions when R(f)L(f)C vs. RLC vs. RC representations are valid. Examples are also given of realistic short and long coupled-section interactions and the effect of in-plane neighbouring connections is discussed. Signal propagation and crosstalk are analyzed over the temperature range -160/spl deg/C to +100/spl deg/C and it is shown that Al(Cu) wiring can sustain 4.44 GHz processor frequency at T=+25/spl deg/C operation.

Frequency-dependent crosstalk modeling for on-chip interconnections

In a massively parallel computing system having a plurality of nodes configured in m multi-dimensions, each node including a computing device, a method for routing packets towards their destination nodes is provided which includes generating at least one of a 2m plurality of compact bit vectors (115, 154) containing information derived from downstream nodes. A multilevel arbitration process (116, 155) in which downstream information stored in the compact vectors, such as link status information and fullness of downstream buffers (130, 140), is used to determine a preferred direction and virtual channel for packet transmission. Preferred direction ranges are encoded and virtual channels are selected by examining the plurality of compact bit vectors (115, 154). This dynamic routing method eliminates the necessity of routing tables, thus enhancing scalability of the switch.

Optimized scalabale network switch

A data capture technique for high speed signaling to allow for optimal sampling of an asynchronous data stream. This technique allows for extremely high data rates and does not require that a clock be sent with the data as is done in source synchronous systems. The present invention also provides a hardware mechanism for automatically adjusting transmission delays for optimal two-bit simultaneous bi-directional (SiBiDi) signaling.

Paul W. Coteus

Papers

Fans in series with cable plug interfaces

Power systems for current and future high performance computers

Frequency-dependent crosstalk modeling for on-chip interconnections

Optimized scalabale network switch

Data catching technology for high-speed signals