-DBUILD_SHARED_LIBS=off to turn off the building of shared libraries.-DCMAKE_INSTALL_PREFIX=xxx to install GROMACS to a non-standard location (default /usr/local/gromacs).-DCMAKE_PREFIX_PATH=xxx to add a non-standard location for CMake to search for libraries.-DGMX_DOUBLE=on to run GROMACS in double precision (slower, and not normally useful).-DGMX_BUILD_MDRUN_ONLY=on to build only the mdrun binary, e.g.-DGMX_SIMD=xxx to specify the level of SIMD support of the node on which mdrun will run.-DGMX_MPI=on to build using an MPI wrapper compiler.-DCMAKE_CXX_COMPILER=xxx equal to the name of the C++98 compiler you wish to use (or the environment variable CXX).-DCMAKE_C_COMPILER=xxx equal to the name of the C99 compiler you wish to use (or the environment variable CC).
You don’t need them, but it gives an idea what is possible: There are several other options, to build. DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=ON -DGMX_USE_OPENCL=ON -DCMAKE_BUILD_TYPE=Release Below is for Linux, without your own FFTW installed (read on for more options and explanation): mkdir buildĬmake.
Gromacs installer can build it for you, but it is also in Linux repositories, or can be downloaded here for Windows. You need a fully working building environment (GCC, Visual Studio), and an OpenCL SDK installed. To checkout via git, use: git clone Building Especially check the “ known limitations “. Note there is also a wiki, where most of this text came from. Else you can simply download the zip-file. If you want to help, checkout via git (on the command-line, via Visual Studio (included in 2013, 20 via git plugin ), Eclipse or your preferred IDE. Getting the sourcesĪll sources are available on Github (our working branch, bases on GROMACS 5.0). The below steps will take no more than 30 minutes. Understand we did the port using our own resources, as everybody was waiting for others to take a big step forward. So the deal is, that we do the heavy lifting and with your help get all the last issues covered. If we only used our spare resources, we can port one project per year. Why? It is very important we get more projects ported to OpenCL, to get more critical mass. Now that GROMACS has been ported to OpenCL, we would like you to help us to make it better.
Low Power – Apps, embedded and portable solutions.Low Latency – Small data-sizes, low response times.Intel – XeonPhi Accelerators, Xeon CPUs.HPC – High Level Programming – Directives and C++.AMD – HIPified CUDA for HSA-enabled GPUs.HPC – Explicit Programming – Accelerated applications and simulations.You can click on the logos of the Programming APIs and Hardware Brands. The below technologies we have experience with and can use them to program CPUs, GPUs, FPGAs and DSPs.
0 kommentar(er)
