Scalable molecular dynamics with NAMD

JC Phillips, R Braun, W Wang… - Journal of …, 2005 - Wiley Online Library
NAMD is a parallel molecular dynamics code designed for high‐performance simulation of
large biomolecular systems. NAMD scales to hundreds of processors on high‐end parallel …

Maximizing throughput of overprovisioned hpc data centers under a strict power budget

O Sarood, A Langer, A Gupta… - SC'14: Proceedings of the …, 2014 - ieeexplore.ieee.org
Building future generation supercomputers while constraining their power consumption is
one of the biggest challenges faced by the HPC community. For example, US Department of …

Bigsim: A parallel simulator for performance prediction of extremely large parallel machines

G Zheng, G Kakulapati, LV Kalé - 18th International Parallel …, 2004 - ieeexplore.ieee.org
Summary form only given. We present a parallel simulator-BigSim-for predicting
performance of machines with a very large number of processors. The simulator provides …

Audio steganography using bit modification

K Gopalan - 2003 International Conference on Multimedia and …, 2003 - ieeexplore.ieee.org
A method of embedding a covert audio message in a cover utterance for secure
communication is presented. The covert message is represented in a compressed form with …

FTC-Charm++: an in-memory checkpoint-based fault tolerant runtime for Charm++ and MPI

G Zheng, L Shi, LV Kalé - … on cluster computing (ieee cat. no …, 2004 - ieeexplore.ieee.org
As high performance clusters continue to grow in size, the mean time between failures
shrinks. Thus, the issues of fault tolerance and reliability are becoming one of the …

Prediction models for multi-dimensional power-performance optimization on many cores

M Curtis-Maury, A Shah, F Blagojevic… - Proceedings of the 17th …, 2008 - dl.acm.org
Power has become a primary concern for HPC systems. Dynamic voltage and frequency
scaling (DVFS) and dynamic concurrency throttling (DCT) are two software tools (or knobs) …

A scalable double in-memory checkpoint and restart scheme towards exascale

G Zheng, X Ni, LV Kalé - IEEE/IFIP International Conference on …, 2012 - ieeexplore.ieee.org
As the size of supercomputers increases, the probability of system failure grows
substantially, posing an increasingly significant challenge for scalability. It is important to …

Towards dynamic resource management with MPI sessions and PMIx

D Huber, M Streubel, I Comprés, M Schulz… - Proceedings of the 29th …, 2022 - dl.acm.org
Job management software on peta-and exascale supercomputers continues to provide static
resource allocations, from a program's start until its end. Dynamic resource allocation and …

Significance driven computation: a voltage-scalable, variation-aware, quality-tuning motion estimator

D Mohapatra, G Karakonstantis, K Roy - Proceedings of the 2009 ACM …, 2009 - dl.acm.org
In this paper we present a design methodology for algorithm/architecture co-design of a
voltage-scalable, process variation aware motion estimator based on significance driven …

Performance evaluation of adaptive MPI

C Huang, G Zheng, L Kalé, S Kumar - Proceedings of the eleventh ACM …, 2006 - dl.acm.org
Processor virtualization via migratable objects is a powerful technique that enables the
runtime system to carry out intelligent adaptive optimizations like dynamic resource …