Two CRPL Research Poster Submissions Accepted for SC18

CRPL’s PhD Students Eric Wright and Mauricio Ferrato have a poster titled “Estimating Molecular Dynamics Chemical Shift with GPUs” accepted for the SC18 conference in Dallas. The research project was started as an undergrad project under the Vertically Integrated Project (VIP) program and consisted of accelerating a chemical shift prediction application called PPM_One using the parallel programming model OpenACC. CRPL’s undergraduate student Thomas Huber was also involved in this project. The application originally existed as a serial application only and porting it to OpenACC allowed to test for both multicore and GPU acceleration.

Continue reading