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Commit 906a0473 authored by Peter Eastman's avatar Peter Eastman
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Bug fixes to CustomGBForce

parent 8b544e9c
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Showing with 7 additions and 7 deletions
platforms/opencl/src/OpenCLKernels.cpp
View file @ 906a0473
...@@ -1746,7 +1746,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo ...@@ -1746,7 +1746,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
tabulatedFunctionParams = new OpenCLArray<mm_float4>(cl, tabulatedFunctionParamsVec.size(), "tabulatedFunctionParameters", false, CL_MEM_READ_ONLY); tabulatedFunctionParams = new OpenCLArray<mm_float4>(cl, tabulatedFunctionParamsVec.size(), "tabulatedFunctionParameters", false, CL_MEM_READ_ONLY);
tabulatedFunctionParams->upload(tabulatedFunctionParamsVec); tabulatedFunctionParams->upload(tabulatedFunctionParamsVec);
cl.getNonbondedUtilities().addArgument(OpenCLNonbondedUtilities::ParameterInfo(prefix+"functionParams", "float", 4, sizeof(cl_float4), tabulatedFunctionParams->getDeviceBuffer())); cl.getNonbondedUtilities().addArgument(OpenCLNonbondedUtilities::ParameterInfo(prefix+"functionParams", "float", 4, sizeof(cl_float4), tabulatedFunctionParams->getDeviceBuffer()));
tableArgs << ", __constant float4* " << prefix << "functionParams"; tableArgs << ", __global const float4* " << prefix << "functionParams";
} }
// Record the global parameters. // Record the global parameters.
...@@ -1834,7 +1834,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo ...@@ -1834,7 +1834,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
replacements["COMPUTE_VALUE"] = n2ValueSource.str(); replacements["COMPUTE_VALUE"] = n2ValueSource.str();
stringstream extraArgs, loadLocal1, loadLocal2, load1, load2; stringstream extraArgs, loadLocal1, loadLocal2, load1, load2;
if (force.getNumGlobalParameters() > 0) if (force.getNumGlobalParameters() > 0)
extraArgs << ", __constant float* globals"; extraArgs << ", __global const float* globals";
for (int i = 0; i < (int) params->getBuffers().size(); i++) { for (int i = 0; i < (int) params->getBuffers().size(); i++) {
const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i]; const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
string paramName = "params"+intToString(i+1); string paramName = "params"+intToString(i+1);
...@@ -1881,7 +1881,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo ...@@ -1881,7 +1881,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
stringstream reductionSource, extraArgs; stringstream reductionSource, extraArgs;
if (force.getNumGlobalParameters() > 0) if (force.getNumGlobalParameters() > 0)
extraArgs << ", __constant float* globals"; extraArgs << ", __global const float* globals";
for (int i = 0; i < (int) params->getBuffers().size(); i++) { for (int i = 0; i < (int) params->getBuffers().size(); i++) {
const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i]; const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
string paramName = "params"+intToString(i+1); string paramName = "params"+intToString(i+1);
...@@ -1906,7 +1906,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo ...@@ -1906,7 +1906,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
variables[computedValueNames[i-1]] = "local_values"+computedValues->getParameterSuffix(i-1); variables[computedValueNames[i-1]] = "local_values"+computedValues->getParameterSuffix(i-1);
map<string, Lepton::ParsedExpression> valueExpressions; map<string, Lepton::ParsedExpression> valueExpressions;
valueExpressions["local_values"+computedValues->getParameterSuffix(i)+" = "] = Lepton::Parser::parse(computedValueExpressions[i], functions).optimize(); valueExpressions["local_values"+computedValues->getParameterSuffix(i)+" = "] = Lepton::Parser::parse(computedValueExpressions[i], functions).optimize();
reductionSource << OpenCLExpressionUtilities::createExpressions(valueExpressions, variables, functionDefinitions, "value"+intToString(i)+"_temp", "functionParams"); reductionSource << OpenCLExpressionUtilities::createExpressions(valueExpressions, variables, functionDefinitions, "value"+intToString(i)+"_temp", prefix+"functionParams");
} }
for (int i = 0; i < (int) computedValues->getBuffers().size(); i++) { for (int i = 0; i < (int) computedValues->getBuffers().size(); i++) {
string valueName = "values"+intToString(i+1); string valueName = "values"+intToString(i+1);
...@@ -1974,7 +1974,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo ...@@ -1974,7 +1974,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
replacements["COMPUTE_INTERACTION"] = n2EnergySource.str(); replacements["COMPUTE_INTERACTION"] = n2EnergySource.str();
stringstream extraArgs, loadLocal1, loadLocal2, clearLocal, load1, load2, declare1, recordDeriv, storeDerivs1, storeDerivs2, declareTemps, setTemps; stringstream extraArgs, loadLocal1, loadLocal2, clearLocal, load1, load2, declare1, recordDeriv, storeDerivs1, storeDerivs2, declareTemps, setTemps;
if (force.getNumGlobalParameters() > 0) if (force.getNumGlobalParameters() > 0)
extraArgs << ", __constant float* globals"; extraArgs << ", __global const float* globals";
for (int i = 0; i < (int) params->getBuffers().size(); i++) { for (int i = 0; i < (int) params->getBuffers().size(); i++) {
const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i]; const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
string paramName = "params"+intToString(i+1); string paramName = "params"+intToString(i+1);
...@@ -2065,7 +2065,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo ...@@ -2065,7 +2065,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
stringstream compute, extraArgs, reduce; stringstream compute, extraArgs, reduce;
if (force.getNumGlobalParameters() > 0) if (force.getNumGlobalParameters() > 0)
extraArgs << ", __constant float* globals"; extraArgs << ", __global const float* globals";
for (int i = 0; i < (int) params->getBuffers().size(); i++) { for (int i = 0; i < (int) params->getBuffers().size(); i++) {
const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i]; const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
string paramName = "params"+intToString(i+1); string paramName = "params"+intToString(i+1);
...@@ -2144,7 +2144,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo ...@@ -2144,7 +2144,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
stringstream compute, extraArgs; stringstream compute, extraArgs;
if (force.getNumGlobalParameters() > 0) if (force.getNumGlobalParameters() > 0)
extraArgs << ", __constant float* globals"; extraArgs << ", __global const float* globals";
for (int i = 0; i < (int) params->getBuffers().size(); i++) { for (int i = 0; i < (int) params->getBuffers().size(); i++) {
const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i]; const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
string paramName = "params"+intToString(i+1); string paramName = "params"+intToString(i+1);
......
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