TestOpenCLNonbondedForce.cpp

/* -------------------------------------------------------------------------- *
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 * Authors: Peter Eastman                                                     *
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#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<cl::Platform> platforms;
    cl::Platform::get(&platforms);
    vector<cl::Device> devices;
    platforms[platformIndex].getDevices(CL_DEVICE_TYPE_ALL, &devices);
    long long memory = devices[deviceIndex].getInfo<CL_DEVICE_GLOBAL_MEM_SIZE>();

    // 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);
    }
}