/* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * This is part of the OpenMM molecular simulation toolkit originating from * * Simbios, the NIH National Center for Physics-Based Simulation of * * Biological Structures at Stanford, funded under the NIH Roadmap for * * Medical Research, grant U54 GM072970. See https://simtk.org. * * * * Portions copyright (c) 2008-2024 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. * * -------------------------------------------------------------------------- */ #define CL_HPP_ENABLE_EXCEPTIONS #define CL_HPP_TARGET_OPENCL_VERSION 120 #define CL_HPP_MINIMUM_OPENCL_VERSION 120 #include "OpenCLTests.h" #include "TestNonbondedForce.h" #include "opencl.hpp" bool canRunHugeTest() { // Create a minimal context just to see which platform and device are being used. System system; system.addParticle(1.0); VerletIntegrator integrator(1.0); Context context(system, integrator, platform); int platformIndex = stoi(platform.getPropertyValue(context, OpenCLPlatform::OpenCLPlatformIndex())); int deviceIndex = stoi(platform.getPropertyValue(context, OpenCLPlatform::OpenCLDeviceIndex())); // Find out how much memory the device has. vector platforms; cl::Platform::get(&platforms); vector devices; platforms[platformIndex].getDevices(CL_DEVICE_TYPE_ALL, &devices); long long memory = devices[deviceIndex].getInfo(); // Only run the huge test if the device has at least 4 GB of memory. return (memory >= 4*(long long)(1<<30)); } void runPlatformTests() { testParallelComputation(NonbondedForce::NoCutoff); testParallelComputation(NonbondedForce::Ewald); testParallelComputation(NonbondedForce::PME); testParallelComputation(NonbondedForce::LJPME); testReordering(); if (canRunHugeTest()) { double tol = (platform.getPropertyDefaultValue("Precision") == "single" ? 1e-4 : 1e-5); testHugeSystem(tol); } }