By Zhang Xinhuai, Computer Centre on 12 Apr, 2013
Benchmark results on atlas6 cluster for the open source LAMMPS shows that running parallel jobs using 12 threads, or running within …
» Parallel Molecular Dynamics Simulation of DNA Base Pair Opening by Sharp Bending
By Cong Pengwen and Yan Jie, Singapore-MIT Alliance, Mechanobiology Institute Singapore on 11 Apr, 2013
Molecular dynamics (MD) simulations were carried out to study the bending of a 20bp long B-DNA fragment with the force exerted …
» The Past & the Future
By Tan Chee Chiang, Computer Centre on 11 Apr, 2013
In 2012, we completed the multi-year HPC resource expansion plan that started in 2007. Our major milestones include exponential growth in …
» Speeding up Performance with Multicore Programming
By Yeo Eng Hee, Computer Centre on 11 Apr, 2013
New HPC users may be interested to know how to make use of such multi-core systems to maximize the benefits through …