Overcoming scaling challenges in biomolecular simulations across multiple platforms
- Abhinav Bhatelé
- Sameer Kumarz
- et al.
- 2008
- IPDPS 2008
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18 results for Laxmikant Kale
Performance evaluation of adaptive MPI
- Huang Chao
- Zheng Gengbin
- et al.
- 2006
- PPoPP 2006
Achieving strong scaling with NAMD on Blue Gene/L
- Sameer Kumar
- Chao Huang
- et al.
- 2006
- IPDPS 2006
Scalable GW software for quasiparticle properties using OpenAtom
- Minjung Kim
- Subhasish Mandal
- et al.
- 2019
- Computer Physics Communications
Scalable molecular dynamics with NAMD on the Summit system
- Bilge Acun
- D.J. Hardy
- et al.
- 2018
- IBM J. Res. Dev
Fine-grained parallelization of the Car-Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer
- Eric Bohm
- Abhinav Bhatele
- et al.
- 2008
- IBM J. Res. Dev
Scalable molecular dynamics with NAMD on the IBM Blue Gene/L system
- Sameer Kumar
- Chao Huang
- et al.
- 2008
- IBM J. Res. Dev
Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers
- Ramkumar V. Vadali
- Yan Shi
- et al.
- 2004
- Journal of Computational Chemistry