In the second week of our visit to Intel Performance Computing Centres (IPCC) in the U.K., we visited the IPCC at Hartree Centre. Our work involved conducting our 1-Day CDT on Monday, and then investigating scientific applications for optimization opportunities for the remaining 4 days. We investigated two applications; a molecular dynamics simulation called DL_MESO and weather simulation called Harmonie. With the help of Intel tools such as Intel VTune Amplifier, we profiled and analysed these applications for possible optimizations.
For the DL_MESO application, we had the fortune of working with Michael Seaton, the primary author of DL_MESO, and together we took the Lattice-Boltzmann part of the DL_MESO application and sped it up by 45.5% on a server node based on an Intel Xeon CPU. We plan to continue collaborating with Hartree team on DL_MESO and further optimize it.