/* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * This is part of the OpenMM molecular simulation toolkit. * * See https://openmm.org/development. * * * * Portions copyright (c) 2008-2026 Stanford University and the Authors. * * Authors: Peter Eastman * * Contributors: * * * * Permission is hereby granted, free of charge, to any person obtaining a * * copy of this software and associated documentation files (the "Software"), * * to deal in the Software without restriction, including without limitation * * the rights to use, copy, modify, merge, publish, distribute, sublicense, * * and/or sell copies of the Software, and to permit persons to whom the * * Software is furnished to do so, subject to the following conditions: * * * * The above copyright notice and this permission notice shall be included in * * all copies or substantial portions of the Software. * * * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL * * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, * * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR * * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE * * USE OR OTHER DEALINGS IN THE SOFTWARE. * * -------------------------------------------------------------------------- */ #include "openmm/Platform.h" #include "openmm/Context.h" #include "openmm/OpenMMException.h" #include "openmm/Kernel.h" #include "openmm/KernelFactory.h" #include "openmm/internal/ContextImpl.h" #ifdef WIN32 #include #else #ifndef __PNACL__ #include #endif #include #include #endif #include #include #include #include "ReferencePlatform.h" using namespace OpenMM; using namespace std; std::vector Platform::pluginLoadFailures; static bool stringLengthComparator(string i, string j) { return (i.size() < j.size()); } static int registerPlatforms() { // Register the Platforms built into the main library. This should eventually be moved elsewhere. ReferencePlatform* platform = new ReferencePlatform(); Platform::registerPlatform(platform); return 0; } static int platformInitializer = registerPlatforms(); Platform::~Platform() { set uniqueKernelFactories; for (auto& factory : kernelFactories) uniqueKernelFactories.insert(factory.second); for (auto factory : uniqueKernelFactories) delete factory; } const vector& Platform::getPropertyNames() const { return platformProperties; } const string& Platform::getPropertyValue(const Context& context, const string& property) const { throw OpenMMException("getPropertyValue: Illegal property name"); } void Platform::setPropertyValue(Context& context, const string& property, const string& value) const { throw OpenMMException("setPropertyValue: Illegal property name"); } const string& Platform::getPropertyDefaultValue(const string& property) const { string propertyName = property; if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end()) propertyName = deprecatedPropertyReplacements.find(property)->second; map::const_iterator value = defaultProperties.find(propertyName); if (value == defaultProperties.end()) throw OpenMMException("getPropertyDefaultValue: Illegal property name"); return value->second; } void Platform::setPropertyDefaultValue(const string& property, const string& value) { string propertyName = property; if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end()) propertyName = deprecatedPropertyReplacements.find(property)->second; for (auto& prop : platformProperties) if (prop == propertyName) { defaultProperties[propertyName] = value; return; } throw OpenMMException("setPropertyDefaultValue: Illegal property name"); } vector > Platform::getDevices(const map& filters) const { return {{}}; } void Platform::contextCreated(ContextImpl& context, const map& properties) const { } void Platform::linkedContextCreated(ContextImpl& context, ContextImpl& originalContext) const { // The default implementation just copies over the properties and calls contextCreated(). // Subclasses may override this to do something different. map properties; for (auto& name : getPropertyNames()) properties[name] = getPropertyValue(originalContext.getOwner(), name); contextCreated(context, properties); } void Platform::contextDestroyed(ContextImpl& context) const { } void Platform::registerKernelFactory(const string& name, KernelFactory* factory) { kernelFactories[name] = factory; } bool Platform::supportsKernels(const vector& kernelNames) const { for (auto& name : kernelNames) if (kernelFactories.find(name) == kernelFactories.end()) return false; return true; } Kernel Platform::createKernel(const string& name, ContextImpl& context) const { if (kernelFactories.find(name) == kernelFactories.end()) throw OpenMMException("Called createKernel() on a Platform which does not support the requested kernel"); return Kernel(kernelFactories.find(name)->second->createKernelImpl(name, *this, context)); } vector& Platform::getPlatforms() { static vector platforms; return platforms; } void Platform::registerPlatform(Platform* platform) { getPlatforms().push_back(platform); } int Platform::getNumPlatforms() { return getPlatforms().size(); } Platform& Platform::getPlatform(int index) { if (index >= 0 && index < getNumPlatforms()) { return *getPlatforms()[index]; } throw OpenMMException("Invalid platform index"); } Platform& Platform::getPlatform(const string& name) { return getPlatformByName(name); } std::vector Platform::getPluginLoadFailures() { return pluginLoadFailures; } Platform& Platform::getPlatformByName(const string& name) { for (int i = 0; i < getNumPlatforms(); i++) if (getPlatform(i).getName() == name) return getPlatform(i); throw OpenMMException("There is no registered Platform called \""+name+"\""); } Platform& Platform::findPlatform(const vector& kernelNames) { Platform* best = 0; vector& platforms = getPlatforms(); double speed = 0.0; for (auto platform : platforms) { if (platform->supportsKernels(kernelNames) && platform->getSpeed() > speed) { best = platform; speed = best->getSpeed(); } } if (best == 0) throw OpenMMException("No Platform supports all the requested kernels"); return *best; } #ifdef WIN32 static HMODULE loadOneLibrary(const string& file) { // Tell Windows not to bother the user with ugly error boxes. const UINT oldErrorMode = SetErrorMode(SEM_FAILCRITICALERRORS); HMODULE handle = LoadLibrary(file.c_str()); SetErrorMode(oldErrorMode); // Restore previous error mode. if (handle == NULL) { stringstream message; message << "Error loading library " << file << ": " << GetLastError(); throw OpenMMException(message.str()); } return handle; } static void initializePlugins(vector& plugins) { for (auto plugin : plugins) { void (*init)(); *(void **)(&init) = (void *) GetProcAddress(plugin, "registerPlatforms"); if (init != NULL) (*init)(); } for (auto plugin : plugins) { void (*init)(); *(void **)(&init) = (void *) GetProcAddress(plugin, "registerKernelFactories"); if (init != NULL) (*init)(); } } #else static void* loadOneLibrary(const string& file) { #ifdef __PNACL__ throw OpenMMException("Loading dynamic libraries is not supported on PNaCl"); #else #ifdef __APPLE__ void *handle = dlopen(file.c_str(), RTLD_LAZY | RTLD_GLOBAL); #else void *handle = dlopen(file.c_str(), RTLD_LAZY | RTLD_LOCAL); #endif if (handle == NULL) { throw OpenMMException("Error loading library "+file+": "+dlerror()); } return handle; #endif } static void initializePlugins(vector& plugins) { #ifndef __PNACL__ for (auto plugin : plugins) { void (*init)(); *(void **)(&init) = dlsym(plugin, "registerPlatforms"); if (init != NULL) (*init)(); } for (auto plugin : plugins) { void (*init)(); *(void **)(&init) = dlsym(plugin, "registerKernelFactories"); if (init != NULL) (*init)(); } #endif } #endif void Platform::loadPluginLibrary(const string& file) { #ifdef WIN32 vector plugins; #else vector plugins; #endif plugins.push_back(loadOneLibrary(file)); initializePlugins(plugins); } vector Platform::loadPluginsFromDirectory(const string& directory) { vector files; char dirSeparator; char pathSeparator; stringstream sdirectory(directory); #ifdef WIN32 dirSeparator = '\\'; pathSeparator = ';'; WIN32_FIND_DATA fileInfo; for (string path; std::getline(sdirectory, path, pathSeparator);) { string filePattern(path + dirSeparator + "*.dll"); HANDLE findHandle = FindFirstFile(filePattern.c_str(), &fileInfo); if (findHandle != INVALID_HANDLE_VALUE) { do { if (fileInfo.cFileName[0] != '.') files.push_back(path+dirSeparator+string(fileInfo.cFileName)); } while (FindNextFile(findHandle, &fileInfo)); FindClose(findHandle); } } vector plugins; #else DIR* dir; dirSeparator = '/'; pathSeparator = ':'; struct dirent *entry; for (string path; std::getline(sdirectory, path, pathSeparator);) { dir = opendir(path.c_str()); if (dir != NULL) { while ((entry = readdir(dir)) != NULL) { if (entry->d_name[0] != '.') files.push_back(path+dirSeparator+string(entry->d_name)); } closedir(dir); } } vector plugins; #endif vector loadedLibraries; pluginLoadFailures.resize(0); std::sort (files.begin(), files.end(), stringLengthComparator); for (unsigned int i = 0; i < files.size(); ++i) { try { plugins.push_back(loadOneLibrary(files[i])); loadedLibraries.push_back(files[i]); } catch (OpenMMException& ex) { pluginLoadFailures.push_back(ex.what()); } } initializePlugins(plugins); return loadedLibraries; } const string& Platform::getDefaultPluginsDirectory() { char* dir = getenv("OPENMM_PLUGIN_DIR"); static string directory; #ifdef _MSC_VER if (dir != NULL) directory = string(dir); else { dir = getenv("PROGRAMFILES"); if (dir == NULL) directory = "C:\\\\Program Files\\OpenMM\\lib\\plugins"; else directory = string(dir)+"\\OpenMM\\lib\\plugins"; } #else if (dir == NULL) directory = "/usr/local/openmm/lib/plugins"; else directory = string(dir); #endif return directory; } // Some bizarre preprocessor magic required to convert a macro to a string... #define STRING1(x) #x #define STRING(x) STRING1(x) const string& Platform::getOpenMMVersion() { #if OPENMM_BUILD_VERSION == 0 static const string version = STRING(OPENMM_MAJOR_VERSION) "." STRING(OPENMM_MINOR_VERSION); #else static const string version = STRING(OPENMM_MAJOR_VERSION) "." STRING(OPENMM_MINOR_VERSION) "." STRING(OPENMM_BUILD_VERSION); #endif return version; } ContextImpl& Platform::getContextImpl(Context& context) const { return *context.impl; } const ContextImpl& Platform::getContextImpl(const Context& context) const { return *context.impl; }