TY - GEN
T1 - Impact of multicores on large-scale molecular dynamics simulations
AU - Alam, Sadaf R.
AU - Agarwal, Pratul K.
AU - Hampton, Scott S.
AU - Ong, Hong
AU - Vetter, Jeffrey S.
PY - 2008
Y1 - 2008
N2 - Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsystems. These multicore processors offer greater computational power, but may be hindered by resource contention. In order to understand and avoid such situations, we investigate the impact of resource contention on three scalable molecular dynamics suites: AMBER (PMEMD module), LAMMPS, and NAMD. The results reveal the factors that can inhibit scaling and performance efficiency on emerging multicore processors.
AB - Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsystems. These multicore processors offer greater computational power, but may be hindered by resource contention. In order to understand and avoid such situations, we investigate the impact of resource contention on three scalable molecular dynamics suites: AMBER (PMEMD module), LAMMPS, and NAMD. The results reveal the factors that can inhibit scaling and performance efficiency on emerging multicore processors.
UR - http://www.scopus.com/inward/record.url?scp=51249085243&partnerID=8YFLogxK
U2 - 10.1109/IPDPS.2008.4536181
DO - 10.1109/IPDPS.2008.4536181
M3 - Conference contribution
AN - SCOPUS:51249085243
SN - 9781424416943
T3 - IPDPS Miami 2008 - Proceedings of the 22nd IEEE International Parallel and Distributed Processing Symposium, Program and CD-ROM
BT - IPDPS Miami 2008 - Proceedings of the 22nd IEEE International Parallel and Distributed Processing Symposium, Program and CD-ROM
T2 - IPDPS 2008 - 22nd IEEE International Parallel and Distributed Processing Symposium
Y2 - 14 April 2008 through 18 April 2008
ER -