Intel is expanding its effort to further optimize research software with assistance from the University of California, San Diego's San Diego Supercomputer Center (SDSC).
Intel is working to improve the parallelism, efficiency, and scalability of widely used molecular and neurological simulation technologies. The company has been focused on optimizing the PMEMD classical molecular dynamics code, part of the widely used AMBER Molecular Dynamics software, on multi-core Intel Xeon processors and "manycore" Intel Xeon Phi processors. However, additional efforts will now include research on improving the performance of multi-scale Quantum Mechanics/Molecular Mechanics (QM/MM) simulations on manycore architectures. QM/MM simulations enable researchers to directly study chemical reactions, without severe approximations.
The collaboration puts SDSC in a position to have a substantial impact on the field of computational neuroscience through the open source NEURON software. "Research conducted as part of this project will feedback into the AMBER and NEURON code bases, as well as the molecular dynamics and computational neuroscience research communities at large," says SDSC director Michael Norman.
"The performance increases we anticipate from SDSC's efforts to modernize these critical codes will have a broad impact on scientific discovery for years to come," says Intel's Bob Burroughs.
From UCSD News (CA)
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