John, since you do not need any special hardware or test bed you can go ahead and get started. Please let us know if you need anything else? Could you provide a writeup for our webpage? Examples are below:? http://jlse.anl.gov/projects/ Thanks, Kumar On Oct 16, 2014, at 8:43 AM, John J. Low <[email protected]> wrote:

From: John J. Low <[email protected]> Evaluation of computational chemistry codes on GPUs and PHIs. John J. Low CELS Several community computational chemistry code has been ported to GPUs and PHIs. Examples of such codes are BigDFT, Quantum Espresso, CP2K and LAAMPS. I want to explore the efficiency of these code on GPUS and Phi coprocessors. NA None John J. Low Jenny / Ruth / Lucie [Schedule (when access is needed and for how long):]

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