Multithreading was first introduced in GROMACS 4.5 based on thread-MPI library which provides a threading-based MPI implementation. Thread-MPI, OpenMP Used in parallelization within a node, multithreading enables efficient use of multicore CPUs. The OpenMM-based acceleration, introduced in version 4.5, which runs entirely on GPU has ben moved to contrib and is not actively supported. GROMACS makes use of GPUs with the native GPU acceleration support in v4.6. Accelerator, GPU Graphics processing units (GPUs) are powerful compute-accelerators with strong floating point capabilities. At the same time, the AMD Bulldozer microarchitecture uses clustered multithreading in form of modules consisting cores quite different from the traditional physical cores. Modern Intel CPUs with Hyper-threading (HT) capable of simultaneous multithreading exposed to the operating system through virtual (logical) cores. One physical core can support multiple logical cores or hardware threads. Core, physical core, virtual core, "Bulldozer" module A core is the computational unit of a multi-core processor traditionally equivalent to a physical core. ![]() In GROMACS terminology a node can also refer to a process or thread-MPI thread in charge of a certain part of the simulation domain. Terms and definitions Node It general refers to a single computer, either a workstation or a machine in a computer network.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |