SCM partners with many of the hardware vendors that have supplied the supercomputers on the top-500 list, to optimize the performance of our computational chemistry package on various platforms. With their continued support we keep making our codes run faster.
|Cray and SCM worked together to port and optimize our codes for the Cray XE6 and Cray XC30. These supercomputers are used in many HPC centers worldwide. The fast interconnect on the XC series is favorable for ADF parallel scaling.|
|Hewlett-Packard and SCM have run parallel performance tests, demonstrating good parallelism. HP continues to test ADF performance on the latest machines.|
|SCM collaborates with IBM to optimize ADF performance with the latest IBM hardware and compilers.||
|SCM works with many Intel departments to ensure optimal ADF performance on various architectures, including latest hardware, compilers and libraries. Consequently, binaries for the ADF Modeling Suite work well-optimized without the need to compile from sources.||
|SCM began GPU-accelerating ADF in 2012, obtaining encouraging results for realistic Hessian calculations. SCM continues to work on GPU acceleration of its modules with the latest NVIDIA GPUs and CUDA libraries.|
|Existing ADF licensees can run ADF in the cloud on CrunchYard‘s fast machines. COSMO-RS and MOPAC are not available in the cloud, and virtualization is currently in progress so that users can also use the ADF-GUI in the cloud.|