/* -------------------------------------------------------------------------- *
* 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) 2019 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* This program 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 3 of the License, or *
* (at your option) any later version. *
* *
* This program 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 this program. If not, see . *
* -------------------------------------------------------------------------- */
#include "CudaKernel.h"
#include "openmm/common/ComputeArray.h"
#include
#include
using namespace OpenMM;
using namespace std;
CudaKernel::CudaKernel(CudaContext& context, CUfunction kernel, const string& name) : context(context), kernel(kernel), name(name) {
}
string CudaKernel::getName() const {
return name;
}
void CudaKernel::execute(int threads, int blockSize) {
int numArgs = arrayArgs.size();
argPointers.resize(numArgs);
for (int i = 0; i < numArgs; i++) {
if (arrayArgs[i] != NULL)
argPointers[i] = &arrayArgs[i]->getDevicePointer();
else
argPointers[i] = &primitiveArgs[i];
}
context.executeKernel(kernel, argPointers.data(), threads, blockSize);
}
void CudaKernel::addArrayArg(ArrayInterface& value) {
int index = arrayArgs.size();
addEmptyArg();
setArrayArg(index, value);
}
void CudaKernel::addPrimitiveArg(const void* value, int size) {
int index = arrayArgs.size();
addEmptyArg();
setPrimitiveArg(index, value, size);
}
void CudaKernel::addEmptyArg() {
primitiveArgs.push_back(make_double4(0, 0, 0, 0));
arrayArgs.push_back(NULL);
}
void CudaKernel::setArrayArg(int index, ArrayInterface& value) {
arrayArgs[index] = &context.unwrap(value);
}
void CudaKernel::setPrimitiveArg(int index, const void* value, int size) {
if (size > sizeof(double4))
throw OpenMMException("Unsupported value type for kernel argument");
memcpy(&primitiveArgs[index], value, size);
arrayArgs[index] = NULL;
}