# # This file is part of the GROMACS molecular simulation package. # # Copyright (c) 2012,2013,2014,2015, by the GROMACS development team, led by # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, # and including many others, as listed in the AUTHORS file in the # top-level source directory and at http://www.gromacs.org. # # GROMACS is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License # as published by the Free Software Foundation; either version 2.1 # of the License, or (at your option) any later version. # # GROMACS is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with GROMACS; if not, see # http://www.gnu.org/licenses, or write to the Free Software Foundation, # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # If you want to redistribute modifications to GROMACS, please # consider that scientific software is very special. Version # control is crucial - bugs must be traceable. We will be happy to # consider code for inclusion in the official distribution, but # derived work must not be called official GROMACS. Details are found # in the README & COPYING files - if they are missing, get the # official version at http://www.gromacs.org. # # To help us fund GROMACS development, we humbly ask that you cite # the research papers on the package. Check out http://www.gromacs.org. if(GMX_DOUBLE) message(FATAL_ERROR "OpenCL not available in double precision - Yet!") endif() # Look for OpenCL # TODO: FindOpenCL module is available in cmake starting with version 3.1.0. # A modified version of that module is used here. # Remove FindOpenCL.cmake file when GROMACS switches to cmake 3.1.0 or higher. find_package(OpenCL) if (OPENCL_FOUND) if (OPENCL_VERSION_STRING VERSION_LESS REQUIRED_OPENCL_MIN_VERSION) message(FATAL_ERROR "OpenCL " "${OPENCL_VERSION_STRING}" " is not supported. OpenCL version " "${REQUIRED_OPENCL_MIN_VERSION}" " or newer is required.") return () endif() else () message(FATAL_ERROR "OpenCL not found.") return() endif() # Tell compiler to hide warnings for comments caused by cl_gl_ext.h on Linux if (UNIX) set(OPENCL_DEFINITIONS ${OPENCL_DEFINITIONS} " -Wno-comment") endif() add_definitions(${OPENCL_DEFINITIONS}) include_directories(${OPENCL_INCLUDE_DIRS}) macro(gmx_gpu_setup) # no OpenMP is no good! if(NOT GMX_OPENMP) message(WARNING "To use GPU acceleration efficiently, mdrun requires OpenMP multi-threading. Without OpenMP a single CPU core can be used with a GPU which is not optimal. Note that with MPI multiple processes can be forced to use a single GPU, but this is typically inefficient. You need to set both C and C++ compilers that support OpenMP (CC and CXX environment variables, respectively) when using GPUs.") endif() endmacro()