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openmm/platforms/opencl/tests/TestOpenCLSort.cpp
Evan Pretti 05472c9a81 Update file headers (#5074)
* Replace SimTK-containing file headers

* Update file headers for new Tinker reader files added
2025-09-23 10:27:26 -07:00

137 lines
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C++

/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit. *
* See https://openmm.org/development. *
* *
* Portions copyright (c) 2008-2021 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. *
* -------------------------------------------------------------------------- */
/**
* This tests the OpenCL implementation of sorting.
*/
#include "openmm/internal/AssertionUtilities.h"
#include "OpenCLArray.h"
#include "OpenCLContext.h"
#include "OpenCLSort.h"
#include "sfmt/SFMT.h"
#include "openmm/System.h"
#include <iostream>
#include <cmath>
#include <set>
using namespace OpenMM;
using namespace std;
static OpenCLPlatform platform;
class SortTrait : public ComputeSortImpl::SortTrait {
int getDataSize() const {return 4;}
int getKeySize() const {return 4;}
const char* getDataType() const {return "float";}
const char* getKeyType() const {return "float";}
const char* getMinKey() const {return "-MAXFLOAT";}
const char* getMaxKey() const {return "MAXFLOAT";}
const char* getMaxValue() const {return "MAXFLOAT";}
const char* getSortKey() const {return "value";}
};
void verifySorting(vector<float> array, bool uniform) {
// Sort the array.
System system;
system.addParticle(0.0);
OpenCLPlatform::PlatformData platformData(system, NULL, "", "", platform.getPropertyDefaultValue("OpenCLPrecision"), "false", "false", 1, NULL);
OpenCLContext& context = *platformData.contexts[0];
context.initialize();
OpenCLArray data(context, array.size(), sizeof(float), "sortData");
data.upload(array);
OpenCLSort sort(context, new SortTrait(), array.size(), uniform);
sort.sort(data);
vector<float> sorted;
data.download(sorted);
// Verify that it is in sorted order.
for (int i = 1; i < (int) sorted.size(); i++)
ASSERT(sorted[i-1] <= sorted[i]);
// Make sure the sorted array contains the same values as the original one.
multiset<float> elements1(array.begin(), array.end());
multiset<float> elements2(sorted.begin(), sorted.end());
ASSERT(elements1 == elements2);
}
void testUniformValues() {
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
vector<float> array(10000);
for (int i = 0; i < (int) array.size(); i++)
array[i] = (float) genrand_real2(sfmt);
verifySorting(array, true);
verifySorting(array, false);
}
void testLogValues() {
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
vector<float> array(10000);
for (int i = 0; i < (int) array.size(); i++)
array[i] = (float) log(genrand_real2(sfmt));
verifySorting(array, true);
verifySorting(array, false);
}
void testShortList() {
OpenMM_SFMT::SFMT sfmt;
init_gen_rand(0, sfmt);
vector<float> array(500);
for (int i = 0; i < (int) array.size(); i++)
array[i] = (float) log(genrand_real2(sfmt));
verifySorting(array, true);
verifySorting(array, false);
}
int main(int argc, char* argv[]) {
try {
if (argc > 1)
platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
testUniformValues();
testLogValues();
testShortList();
}
catch(const exception& e) {
cout << "exception: " << e.what() << endl;
return 1;
}
cout << "Done" << endl;
return 0;
}