+#
+# This file is part of the GROMACS molecular simulation package.
+#
+# Copyright (c) 2012,2013,2014, 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 the user did not set GMX_GPU we'll consider this option to be
# in "auto" mode meaning that we will:
# - search for CUDA and set GMX_GPU=ON we find it
# Noise is acceptable when there is a GPU or the user required one.
set(FIND_CUDA_QUIETLY QUIET)
endif()
- # We support CUDA >=v3.2 on *nix, but <= v4.1 doesn't work with MSVC
- if(MSVC)
- find_package(CUDA 4.1 ${FIND_CUDA_QUIETLY})
- else()
- find_package(CUDA 3.2 ${FIND_CUDA_QUIETLY})
+ find_package(CUDA ${REQUIRED_CUDA_VERSION} ${FIND_CUDA_QUIETLY})
+
+ # Cmake 2.8.12 (and CMake 3.0) introduced a new bug where the cuda
+ # library dir is added twice as an rpath on APPLE, which in turn causes
+ # the install_name_tool to wreck the binaries when it tries to remove this
+ # path. Since this is set inside the cuda module, we remove the extra rpath
+ # added in the library string - an rpath is not a library anyway, and at
+ # least for Gromacs this works on all CMake versions. This should be
+ # reasonably future-proof, since newer versions of CMake appear to handle
+ # the rpath automatically based on the provided library path, meaning
+ # the explicit rpath specification is no longer needed.
+ if(APPLE AND (CMAKE_VERSION VERSION_GREATER 2.8.11))
+ foreach(elem ${CUDA_LIBRARIES})
+ if(elem MATCHES "-Wl,.*")
+ list(REMOVE_ITEM CUDA_LIBRARIES ${elem})
+ endif()
+ endforeach(elem)
endif()
endif()
# assemble warning/error message
if (GMX_DETECT_GPU_AVAILABLE)
- set(_msg "
- ${GMX_DETECT_GPU_COUNT} NVIDIA GPU(s) found in the system")
+ set(_msg "${GMX_DETECT_GPU_COUNT} NVIDIA GPU(s) found in the system")
# append GPU names
if (NOT GMX_DETECT_GPU_INFO STREQUAL "")
set(_msg "${_msg}:")
foreach(gpu ${GMX_DETECT_GPU_INFO})
set(_msg "${_msg}
- ${gpu}")
+${gpu}")
endforeach()
endif()
# TODO remove the second part of the message when we'll have compute
# capability information from the detection.
set(_msg "${_msg}
- Compute capability information not available, consult the NVIDIA website:
- https://developer.nvidia.com/cuda-gpus
- ")
+Compute capability information not available, consult the NVIDIA website:
+https://developer.nvidia.com/cuda-gpus")
endif()
- set(CUDA_NOTFOUND_MESSAGE "
- mdrun supports native GPU acceleration on NVIDIA hardware with compute
- capability >=2.0 (Fermi or later). This requires the NVIDIA CUDA toolkit,
- which was not found. Its location can be hinted by setting the
- CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable).
- The typical location would be /usr/local/cuda[-version].
- Note that CPU or GPU acceleration can be selected at runtime!
+ set(CUDA_NOTFOUND_MESSAGE "mdrun supports native GPU acceleration on NVIDIA hardware with compute capability >= ${REQUIRED_CUDA_COMPUTE_CAPABILITY} (Fermi or later). This requires the NVIDIA CUDA toolkit, which was not found. Its location can be hinted by setting the CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable). The typical location would be /usr/local/cuda[-version]. Note that CPU or GPU acceleration can be selected at runtime.
- ${_msg}")
+${_msg}")
unset(_msg)
if (NOT CUDA_FOUND)
if (GMX_GPU_AUTO)
# Disable GPU acceleration in auto mode
- message(STATUS "No compatible CUDA toolkit found (v3.2+), disabling native GPU acceleration")
+ message(STATUS "No compatible CUDA toolkit found (v4.0+), disabling native GPU acceleration")
set_property(CACHE GMX_GPU PROPERTY VALUE OFF)
set(CUDA_NOTFOUND_AUTO ON)
- else ()
+ else()
# the user requested CUDA, but it wasn't found
message(FATAL_ERROR "${CUDA_NOTFOUND_MESSAGE}")
endif()
string(REGEX REPLACE "[ ]+" ";" _cxx_flags_nospace "${BUILD_CXXFLAGS}")
endif()
SET(${COMPILER_FLAGS} "${CUDA_NVCC_FLAGS}${CUDA_NVCC_FLAGS_${_build_type}}; ${_cxx_flags_nospace}")
- else ()
+ else()
SET(${COMPILER_INFO} "N/A")
SET(${COMPILER_FLAGS} "N/A")
- endif ()
- endif ()
+ endif()
+ endif()
endmacro ()
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
- typically inefficient. Note that you need to set both C and C++ compilers that
- support OpenMP (CC and CXX environment variables, respectively) when using GPUs.")
+ 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()
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff