mirror of
https://github.com/openmm/openmm
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05472c9a81
* Replace SimTK-containing file headers * Update file headers for new Tinker reader files added
140 lines
7.9 KiB
C++
140 lines
7.9 KiB
C++
/* -------------------------------------------------------------------------- *
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* OpenMM *
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* -------------------------------------------------------------------------- *
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* This is part of the OpenMM molecular simulation toolkit. *
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* See https://openmm.org/development. *
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* *
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* Portions copyright (c) 2014-2015 Stanford University and the Authors. *
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* Authors: Robert T. McGibbon *
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* Contributors: Daniel Towner *
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* *
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* Permission is hereby granted, free of charge, to any person obtaining a *
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* copy of this software and associated documentation files (the "Software"), *
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* to deal in the Software without restriction, including without limitation *
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* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
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* and/or sell copies of the Software, and to permit persons to whom the *
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* Software is furnished to do so, subject to the following conditions: *
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* *
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* The above copyright notice and this permission notice shall be included in *
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* all copies or substantial portions of the Software. *
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* *
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* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
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* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
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* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
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* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
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* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
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* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
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* USE OR OTHER DEALINGS IN THE SOFTWARE. *
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* -------------------------------------------------------------------------- */
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/**
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* This tests vectorized operations.
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*/
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#include "openmm/internal/AssertionUtilities.h"
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#include "openmm/internal/vectorizeAvx.h"
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#include <iostream>
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#include "TestVectorizeGeneric.h"
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#ifndef __AVX__
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bool isVec8Supported() {
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return false;
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}
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#else
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/**
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* Check whether 8 component vectors are supported with the current CPU.
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*/
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bool isVec8Supported() {
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// Make sure the CPU supports AVX.
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int cpuInfo[4];
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cpuid(cpuInfo, 0);
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if (cpuInfo[0] >= 1) {
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cpuid(cpuInfo, 1);
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return ((cpuInfo[2] & ((int) 1 << 28)) != 0);
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}
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return false;
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}
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#endif
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using namespace OpenMM;
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using namespace std;
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#define ASSERT_VEC4_EQUAL(found, expected0, expected1, expected2, expected3) {if (std::abs((found)[0]-(expected0))>1e-6 || std::abs((found)[1]-(expected1))>1e-6 || std::abs((found)[2]-(expected2))>1e-6 || std::abs((found)[3]-(expected3))>1e-6) {std::stringstream details; details << " Expected ("<<(expected0)<<","<<(expected1)<<","<<(expected2)<<","<<(expected3)<<"), found ("<<(found)[0]<<","<<(found)[1]<<","<<(found)[2]<<","<<(found)[3]<<")"; throwException(__FILE__, __LINE__, details.str());}};
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#define ASSERT_VEC8_EQUAL(found, expected0, expected1, expected2, expected3, expected4, expected5, expected6, expected7) {if (std::abs((found).lowerVec()[0]-(expected0))>1e-6 || std::abs((found).lowerVec()[1]-(expected1))>1e-6 || std::abs((found).lowerVec()[2]-(expected2))>1e-6 || std::abs((found).lowerVec()[3]-(expected3))>1e-6 || std::abs((found).upperVec()[0]-(expected4))>1e-6 || std::abs((found).upperVec()[1]-(expected5))>1e-6 || std::abs((found).upperVec()[2]-(expected6))>1e-6 || std::abs((found).upperVec()[3]-(expected7))>1e-6) {std::stringstream details; details << " Expected ("<<(expected0)<<","<<(expected1)<<","<<(expected2)<<","<<(expected3)<<","<<(expected4)<<","<<(expected5)<<","<<(expected6)<<","<<(expected7)<<"), found ("<<(found).lowerVec()[0]<<","<<(found).lowerVec()[1]<<","<<(found).lowerVec()[2]<<","<<(found).lowerVec()[3]<<","<<(found).upperVec()[0]<<","<<(found).upperVec()[1]<<","<<(found).upperVec()[2]<<","<<(found).upperVec()[3]<<")"; throwException(__FILE__, __LINE__, details.str());}};
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#define ASSERT_VEC8_EQUAL_INT(found, expected0, expected1, expected2, expected3, expected4, expected5, expected6, expected7) {if ((found).lowerVec()[0] != (expected0) || (found).lowerVec()[1] != (expected1) || (found).lowerVec()[2] != (expected2) || (found).lowerVec()[3] != (expected3) || (found).upperVec()[0] != (expected4) || (found).upperVec()[1] != (expected5) ||(found).upperVec()[2] != (expected6) || (found).upperVec()[3] != (expected7)) {std::stringstream details; details << " Expected ("<<(expected0)<<","<<(expected1)<<","<<(expected2)<<","<<(expected3)<<","<<(expected4)<<","<<(expected5)<<","<<(expected6)<<","<<(expected7)<<"), found ("<<(found).lowerVec()[0]<<","<<(found).lowerVec()[1]<<","<<(found).lowerVec()[2]<<","<<(found).lowerVec()[3]<<","<<(found).upperVec()[0]<<","<<(found).upperVec()[1]<<","<<(found).upperVec()[2]<<","<<(found).upperVec()[3]<<")"; throwException(__FILE__, __LINE__, details.str());}};
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void testLoadStore() {
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ivec8 i1(3);
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ASSERT_VEC8_EQUAL_INT(i1, 3, 3, 3, 3, 3, 3, 3, 3);
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ivec8 i2(2, 3, 4, 5, 6, 7, 8, 9);
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ASSERT_VEC8_EQUAL_INT(i2, 2, 3, 4, 5, 6, 7, 8, 9);
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int iarray[8];
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i2.store(iarray);
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ivec8 i3(iarray);
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ASSERT_VEC8_EQUAL_INT(i3, 2, 3, 4, 5, 6, 7, 8, 9);
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ASSERT_EQUAL(i3.lowerVec()[0], 2);
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ASSERT_EQUAL(i3.lowerVec()[1], 3);
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ASSERT_EQUAL(i3.lowerVec()[2], 4);
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ASSERT_EQUAL(i3.lowerVec()[3], 5);
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ASSERT_EQUAL(i3.upperVec()[0], 6);
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ASSERT_EQUAL(i3.upperVec()[1], 7);
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ASSERT_EQUAL(i3.upperVec()[2], 8);
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ASSERT_EQUAL(i3.upperVec()[3], 9);
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// Partial store of vec3 should not overwrite beyond the 3 elements.
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// Note that this is a fvec4 method, but is conditionally compiled for AVX so needs to be
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// tested here too.
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float overwriteTest[4] = {9, 9, 9, 9};
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fvec4(1, 2, 3, 7777).storeVec3(overwriteTest);
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ASSERT_EQUAL(overwriteTest[0], 1);
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ASSERT_EQUAL(overwriteTest[1], 2);
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ASSERT_EQUAL(overwriteTest[2], 3);
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ASSERT_EQUAL(overwriteTest[3], 9);
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}
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void testLogic() {
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int allBits = -1;
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float allBitsf = *((float*) &allBits);
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ivec8 mask(0, allBits, allBits, 0, 0, allBits, allBits, 0);
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fvec8 fmask(0, allBitsf, allBitsf, 0, 0, allBitsf, allBitsf, 0);
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fvec8 f1(0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0);
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ivec8 i1(1, 2, 3, 4, 5, 6, 7, 8);
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ASSERT_VEC8_EQUAL(f1&fmask, 0, 1.0, 1.5, 0, 0, 3.0, 3.5, 0.0);
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fvec8 temp = f1|fmask;
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ASSERT_EQUAL(0.5, temp.lowerVec()[0]);
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ASSERT(temp.lowerVec()[1]!= temp.lowerVec()[1]); // All bits set, which is nan
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ASSERT(temp.lowerVec()[2] != temp.lowerVec()[2]); // All bits set, which is nan
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ASSERT_EQUAL(2.0, temp.lowerVec()[3]);
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ASSERT_EQUAL(2.5, temp.upperVec()[0]);
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ASSERT(temp.upperVec()[1] != temp.upperVec()[1]); // All bits set, which is nan
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ASSERT(temp.upperVec()[2] != temp.upperVec()[2]); // All bits set, which is nan
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ASSERT_EQUAL(4.0, temp.upperVec()[3]);
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ASSERT_VEC8_EQUAL_INT(i1&mask, 0, 2, 3, 0, 0, 6, 7, 0);
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ASSERT_VEC8_EQUAL_INT(i1|mask, 1, allBits, allBits, 4, 5, allBits, allBits, 8);
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ivec8 i2(1, 2, 4, 3, 7, 6, 5, 8);
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ASSERT_VEC8_EQUAL_INT(i1 == i2, -1, -1, 0, 0, 0, -1, 0, -1);
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ASSERT_VEC8_EQUAL_INT(i1 != i2, 0, 0, -1, -1, -1, 0, -1, 0);
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}
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int main(int argc, char* argv[]) {
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try {
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if (!isVec8Supported()) {
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cout << "CPU is not supported. Exiting." << endl;
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return 0;
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}
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testLoadStore();
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testLogic();
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TestFvec<fvec8>::testAll();
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}
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catch(const exception& e) {
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cout << "exception: " << e.what() << endl;
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return 1;
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}
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cout << "Done" << endl;
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return 0;
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}
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