file(GLOB CLFFT_SOURCES_UNWANTED statTimer/dllmain.cpp library/dllmain.cpp)
list(REMOVE_ITEM CLFFT_SOURCES ${CLFFT_SOURCES_UNWANTED})
+add_library(clFFT OBJECT ${CLFFT_SOURCES})
+
# disable all warnings
-set_source_files_properties(${CLFFT_SOURCES} PROPERTIES COMPILE_FLAGS "${COMPILE_FLAGS} -w")
+target_compile_options(clFFT PRIVATE "-w")
+if (BUILD_SHARED_LIBS)
+ set_target_properties(clFFT PROPERTIES
+ POSITION_INDEPENDENT_CODE ON
+ )
+endif()
+
+# Windows doesn't need anything special to load the dynamic libraries
+# that the AMD clFFT implementation uses, but *nix and BSD do.
+if (NOT WIN32)
+ include(CheckCXXSymbolExists)
+ check_cxx_symbol_exists(dlopen dlfcn.h HAVE_DLOPEN)
+ if (NOT HAVE_DLOPEN)
+ message(FATAL_ERROR "Cannot use clFFT for OpenCL support unless dlopen is available")
+ endif()
+endif()
-# link
-add_library(clFFT STATIC ${CLFFT_SOURCES})
-target_include_directories(clFFT PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}/include)
-set_property(TARGET clFFT PROPERTY POSITION_INDEPENDENT_CODE ON)
+target_include_directories(clFFT
+ PUBLIC
+ ${CMAKE_CURRENT_SOURCE_DIR}/include
+ PRIVATE
+ ${CMAKE_CURRENT_SOURCE_DIR}/library
+ ${CMAKE_CURRENT_SOURCE_DIR}/statTimer
+ )
add_library(libgromacs ${LIBGROMACS_SOURCES})
endif()
+# TODO: installed clFFT should be preferred, if possible;
+# src/external/src/clFFT/FindclFFT.cmake should help with that.
+# Redmine issue #2500
+if (GMX_USE_OPENCL)
+ set (_clFFT_dir ../external/clFFT/src)
+ add_subdirectory(${_clFFT_dir} clFFT-build)
+ target_sources(libgromacs PRIVATE
+ $<TARGET_OBJECTS:clFFT>
+ )
+ target_include_directories(libgromacs PRIVATE ${_clFFT_dir}/include)
+ # Use the magic variable for how to link any library needed for
+ # dlopen, etc. which is -ldl where needed, and empty otherwise
+ # (e.g. Windows, BSD, Mac).
+ target_link_libraries(libgromacs PRIVATE "${CMAKE_DL_LIBS}")
+endif()
+
# Recent versions of gcc and clang give warnings on scanner.cpp, which
# is a generated source file. These are awkward to suppress inline, so
# we do it in the compilation command (after testing that the compiler
${GMX_COMMON_LIBRARIES}
${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
${LMFIT_LIBRARIES_TO_LINK}
- ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS} ${OpenCL_LIBRARIES}
+ ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS}
+ ${OpenCL_LIBRARIES}
${GMX_STDLIB_LIBRARIES}
PUBLIC
${GMX_PUBLIC_LIBRARIES}
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2015,2016,2017, by the GROMACS development team, led by
+# Copyright (c) 2015,2016,2017,2018, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Note, source files should be listed in alphabetical order, to reduce
+# the incidence of textual clashes when adding/moving files that
+# otherwise make the end of the list a hotspot.
+
gmx_add_libgromacs_sources(
+ clfftinitializer.cpp
hostallocator.cpp
)
if(GMX_USE_OPENCL)
--- /dev/null
+/*
+ * This file is part of the GROMACS molecular simulation package.
+ *
+ * Copyright (c) 2018, 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.
+ */
+/*! \internal \file
+ * \brief
+ * Implements ClfftInitializer class.
+ *
+ * \author Aleksei Iupinov <a.yupinov@gmail.com>
+ */
+
+#include "gmxpre.h"
+
+#include "clfftinitializer.h"
+
+#include "config.h"
+
+#include "gromacs/compat/make_unique.h"
+#include "gromacs/utility/exceptions.h"
+#include "gromacs/utility/stringutil.h"
+
+#if GMX_GPU == GMX_GPU_OPENCL
+#include <clFFT.h>
+#endif
+
+namespace gmx
+{
+
+ClfftInitializer::ClfftInitializer()
+{
+#if GMX_GPU == GMX_GPU_OPENCL
+ clfftSetupData fftSetup;
+ int initErrorCode = clfftInitSetupData(&fftSetup);
+ if (initErrorCode != 0)
+ {
+ GMX_THROW(InternalError(formatString("Failed to initialize the clFFT library, error code %d", initErrorCode)));
+ }
+ initErrorCode = clfftSetup(&fftSetup);
+ if (initErrorCode != 0)
+ {
+ GMX_THROW(InternalError(formatString("Failed to initialize the clFFT library, error code %d", initErrorCode)));
+ }
+#endif
+}
+
+ClfftInitializer::~ClfftInitializer()
+{
+#if GMX_GPU == GMX_GPU_OPENCL
+ clfftTeardown();
+ // TODO: log non-0 return values (errors)
+#endif
+}
+
+std::unique_ptr<ClfftInitializer> initializeClfftLibrary()
+{
+ return compat::make_unique<ClfftInitializer>();
+}
+
+}
--- /dev/null
+/*
+ * This file is part of the GROMACS molecular simulation package.
+ *
+ * Copyright (c) 2018, 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.
+ */
+/*! \libinternal \file
+ * \brief
+ * Declares ClfftInitializer class, which initializes and
+ * tears down the clFFT library resources in OpenCL builds,
+ * and does nothing in other builds, and a factory function for it.
+ *
+ * clFFT itself is used in the OpenCL implementation of PME
+ * for 3D R2C/C2R transforms. It is know to work with NVidia
+ * OpenCL, AMD fglrx and AMDGPU-PRO drivers, and to not work with
+ * AMD Rocm dev preview as of May 2018 (#2515).
+ * TODO: find out compatibility with Intel once the rest of PME
+ * gets there (#2516), or by building clFFT own tests.
+ *
+ * \inlibraryapi
+ * \author Aleksei Iupinov <a.yupinov@gmail.com>
+ */
+#ifndef GMX_GPU_UTILS_CLFFTINITIALIZER_H
+#define GMX_GPU_UTILS_CLFFTINITIALIZER_H
+
+#include <memory>
+
+#include "gromacs/utility/classhelpers.h"
+
+namespace gmx
+{
+
+/*! \libinternal
+ * \brief Handle clFFT library init and tear down in RAII style. */
+class ClfftInitializer
+{
+ public:
+ ClfftInitializer();
+ ~ClfftInitializer();
+
+ GMX_DISALLOW_COPY_AND_ASSIGN(ClfftInitializer);
+};
+
+/*! \brief This routine should be called during setup for running
+ * an FFT task on an OpenCL device.
+ *
+ * It should be called once per process with such a task.
+ *
+ * It implements lazy initialization, so that we can have a lifetime
+ * that begins when we know that PME on an OpenCL device will run an
+ * FFT task on the device, and should continue until we know that the
+ * last such task has completed. Any time required for this
+ * initialization or tear down should not be accrued to per-MD-step
+ * counters.
+ *
+ * \todo Consider making a composite object that also handles
+ * on-demand compilation, managing lifetime of PME FFT kernel programs
+ * to avoid exhausting resources and/or recompiling kernels previously
+ * used. See Redmine #2535.
+ *
+ * \todo Consider implementing an appropriate flavor of the nifty
+ * counter idiom so that both static initialization and
+ * deinitialization can work in a fast, leak-free, and thread-safe way
+ * without imposing constraints on the calling code.
+ * See Redmine #2535.
+ */
+std::unique_ptr<ClfftInitializer> initializeClfftLibrary();
+
+}
+
+#endif
#include "gromacs/fileio/tpxio.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/gmxlib/nrnb.h"
+#include "gromacs/gpu_utils/clfftinitializer.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/hardware/cpuinfo.h"
#include "gromacs/hardware/detecthardware.h"
}
}
- gmx_device_info_t *pmeDeviceInfo = nullptr;
+ std::unique_ptr<ClfftInitializer> initializedClfftLibrary;
+
+ gmx_device_info_t *pmeDeviceInfo = nullptr;
// Later, this program could contain kernels that might be later
// re-used as auto-tuning progresses, or subsequent simulations
// are invoked.
pmeDeviceInfo = getDeviceInfo(hwinfo->gpu_info, pmeGpuTaskMapping->deviceId_);
init_gpu(mdlog, pmeDeviceInfo);
pmeGpuProgram = buildPmeGpuProgram(pmeDeviceInfo);
+ // TODO It would be nice to move this logic into the factory
+ // function. See Redmine #2535.
+ bool isMasterThread = !GMX_THREAD_MPI || MASTER(cr);
+ if (pmeRunMode == PmeRunMode::GPU && !initializedClfftLibrary && isMasterThread)
+ {
+ initializedClfftLibrary = initializeClfftLibrary();
+ }
}
/* getting number of PP/PME threads
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff