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Commit b1232a0f authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed error when evaluating a tabulated function exactly at its end

parent 0df95c59
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Showing with 4 additions and 3 deletions
platforms/opencl/src/OpenCLExpressionUtilities.cpp
View file @ b1232a0f
...@@ -121,6 +121,7 @@ void OpenCLExpressionUtilities::processExpression(stringstream& out, const Expre ...@@ -121,6 +121,7 @@ void OpenCLExpressionUtilities::processExpression(stringstream& out, const Expre
out << "float x = " << getTempName(node.getChildren()[0], temps) << ";\n"; out << "float x = " << getTempName(node.getChildren()[0], temps) << ";\n";
out << "if (x >= params.x && x <= params.y) {\n"; out << "if (x >= params.x && x <= params.y) {\n";
out << "int index = (int) (floor((x-params.x)*params.z));\n"; out << "int index = (int) (floor((x-params.x)*params.z));\n";
out << "index = min(index, (int) params.w);\n";
out << "float4 coeff = " << functions[i].second << "[index];\n"; out << "float4 coeff = " << functions[i].second << "[index];\n";
out << "x = (x-params.x)*params.z-index;\n"; out << "x = (x-params.x)*params.z-index;\n";
if (valueNode != NULL) if (valueNode != NULL)
......
platforms/opencl/src/OpenCLKernels.cpp
View file @ b1232a0f
...@@ -1583,7 +1583,7 @@ void OpenCLCalcCustomNonbondedForceKernel::initialize(const System& system, cons ...@@ -1583,7 +1583,7 @@ void OpenCLCalcCustomNonbondedForceKernel::initialize(const System& system, cons
string arrayName = prefix+"table"+intToString(i); string arrayName = prefix+"table"+intToString(i);
functionDefinitions.push_back(make_pair(name, arrayName)); functionDefinitions.push_back(make_pair(name, arrayName));
functions[name] = &fp; functions[name] = &fp;
tabulatedFunctionParamsVec[i] = mm_float4((float) min, (float) max, (float) ((values.size()-1)/(max-min)), 0.0f); tabulatedFunctionParamsVec[i] = mm_float4((float) min, (float) max, (float) ((values.size()-1)/(max-min)), values.size()-2);
vector<mm_float4> f = OpenCLExpressionUtilities::computeFunctionCoefficients(values, interpolating); vector<mm_float4> f = OpenCLExpressionUtilities::computeFunctionCoefficients(values, interpolating);
tabulatedFunctions.push_back(new OpenCLArray<mm_float4>(cl, values.size()-1, "TabulatedFunction")); tabulatedFunctions.push_back(new OpenCLArray<mm_float4>(cl, values.size()-1, "TabulatedFunction"));
tabulatedFunctions[tabulatedFunctions.size()-1]->upload(f); tabulatedFunctions[tabulatedFunctions.size()-1]->upload(f);
...@@ -1922,7 +1922,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo ...@@ -1922,7 +1922,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
string arrayName = prefix+"table"+intToString(i); string arrayName = prefix+"table"+intToString(i);
functionDefinitions.push_back(make_pair(name, arrayName)); functionDefinitions.push_back(make_pair(name, arrayName));
functions[name] = &fp; functions[name] = &fp;
tabulatedFunctionParamsVec[i] = mm_float4((float) min, (float) max, (float) ((values.size()-1)/(max-min)), 0.0f); tabulatedFunctionParamsVec[i] = mm_float4((float) min, (float) max, (float) ((values.size()-1)/(max-min)), values.size()-2);
vector<mm_float4> f = OpenCLExpressionUtilities::computeFunctionCoefficients(values, interpolating); vector<mm_float4> f = OpenCLExpressionUtilities::computeFunctionCoefficients(values, interpolating);
tabulatedFunctions.push_back(new OpenCLArray<mm_float4>(cl, values.size()-1, "TabulatedFunction")); tabulatedFunctions.push_back(new OpenCLArray<mm_float4>(cl, values.size()-1, "TabulatedFunction"));
tabulatedFunctions[tabulatedFunctions.size()-1]->upload(f); tabulatedFunctions[tabulatedFunctions.size()-1]->upload(f);
...@@ -2962,7 +2962,7 @@ void OpenCLCalcCustomHbondForceKernel::initialize(const System& system, const Cu ...@@ -2962,7 +2962,7 @@ void OpenCLCalcCustomHbondForceKernel::initialize(const System& system, const Cu
string arrayName = "table"+intToString(i); string arrayName = "table"+intToString(i);
functionDefinitions.push_back(make_pair(name, arrayName)); functionDefinitions.push_back(make_pair(name, arrayName));
functions[name] = &fp; functions[name] = &fp;
tabulatedFunctionParamsVec[i] = mm_float4((float) min, (float) max, (float) ((values.size()-1)/(max-min)), 0.0f); tabulatedFunctionParamsVec[i] = mm_float4((float) min, (float) max, (float) ((values.size()-1)/(max-min)), values.size()-2);
vector<mm_float4> f = OpenCLExpressionUtilities::computeFunctionCoefficients(values, interpolating); vector<mm_float4> f = OpenCLExpressionUtilities::computeFunctionCoefficients(values, interpolating);
tabulatedFunctions.push_back(new OpenCLArray<mm_float4>(cl, values.size()-1, "TabulatedFunction")); tabulatedFunctions.push_back(new OpenCLArray<mm_float4>(cl, values.size()-1, "TabulatedFunction"));
tabulatedFunctions[tabulatedFunctions.size()-1]->upload(f); tabulatedFunctions[tabulatedFunctions.size()-1]->upload(f);
......
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