—Various studies have pointed out the debilitating effects of OS Jitter on the performance of parallel applications on large clusters such as the ASCI Purple and the Mare Nostrum...
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
Traditional collective communication algorithms are designed with the assumption that a node can communicate with only one other node at a time. On new parallel architectures such...
Ernie Chan, Robert A. van de Geijn, William Gropp,...
Petascale parallel computers with more than a million processing cores are expected to be available in a couple of years. Although MPI is the dominant programming interface today ...
Pavan Balaji, Darius Buntinas, David Goodell, Will...