Commit 394d29a8 authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed compilation warnings under Windows

parent 53b4e664
...@@ -481,7 +481,7 @@ void CudaCalcCustomNonbondedForceKernel::initialize(const System& system, const ...@@ -481,7 +481,7 @@ void CudaCalcCustomNonbondedForceKernel::initialize(const System& system, const
globalParamValues.resize(force.getNumGlobalParameters()); globalParamValues.resize(force.getNumGlobalParameters());
for (int i = 0; i < force.getNumGlobalParameters(); i++) { for (int i = 0; i < force.getNumGlobalParameters(); i++) {
globalParamNames[i] = force.getGlobalParameterName(i); globalParamNames[i] = force.getGlobalParameterName(i);
globalParamValues[i] = force.getGlobalParameterDefaultValue(i); globalParamValues[i] = (float) force.getGlobalParameterDefaultValue(i);
} }
gpuSetCustomNonbondedParameters(gpu, parameters, exclusionList, exceptionParticle1, exceptionParticle2, exceptionParams, method, gpuSetCustomNonbondedParameters(gpu, parameters, exclusionList, exceptionParticle1, exceptionParticle2, exceptionParams, method,
(float)force.getCutoffDistance(), force.getEnergyFunction(), combiningRules, paramNames, globalParamNames); (float)force.getCutoffDistance(), force.getEnergyFunction(), combiningRules, paramNames, globalParamNames);
...@@ -500,7 +500,7 @@ double CudaCalcCustomNonbondedForceKernel::executeEnergy(ContextImpl& context) { ...@@ -500,7 +500,7 @@ double CudaCalcCustomNonbondedForceKernel::executeEnergy(ContextImpl& context) {
void CudaCalcCustomNonbondedForceKernel::updateGlobalParams(ContextImpl& context) { void CudaCalcCustomNonbondedForceKernel::updateGlobalParams(ContextImpl& context) {
bool changed = false; bool changed = false;
for (int i = 0; i < globalParamNames.size(); i++) { for (int i = 0; i < (int) globalParamNames.size(); i++) {
float value = (float) context.getParameter(globalParamNames[i]); float value = (float) context.getParameter(globalParamNames[i]);
if (value != globalParamValues[i]) if (value != globalParamValues[i])
changed = true; changed = true;
...@@ -761,7 +761,7 @@ void CudaIntegrateVariableLangevinStepKernel::execute(ContextImpl& context, cons ...@@ -761,7 +761,7 @@ void CudaIntegrateVariableLangevinStepKernel::execute(ContextImpl& context, cons
// Initialize the GPU parameters. // Initialize the GPU parameters.
double tau = (friction == 0.0 ? 0.0 : 1.0/friction); double tau = (friction == 0.0 ? 0.0 : 1.0/friction);
gpuSetLangevinIntegrationParameters(gpu, (float) tau, 0.0f, (float) temperature, errorTol); gpuSetLangevinIntegrationParameters(gpu, (float) tau, 0.0f, (float) temperature, (float) errorTol);
gpuSetConstants(gpu); gpuSetConstants(gpu);
kGenerateRandoms(gpu); kGenerateRandoms(gpu);
prevTemp = temperature; prevTemp = temperature;
...@@ -806,7 +806,7 @@ void CudaApplyAndersenThermostatKernel::execute(ContextImpl& context) { ...@@ -806,7 +806,7 @@ void CudaApplyAndersenThermostatKernel::execute(ContextImpl& context) {
if (temperature != prevTemp || frequency != prevFrequency || stepSize != prevStepSize) { if (temperature != prevTemp || frequency != prevFrequency || stepSize != prevStepSize) {
// Initialize the GPU parameters. // Initialize the GPU parameters.
gpuSetAndersenThermostatParameters(gpu, (float) temperature, frequency); gpuSetAndersenThermostatParameters(gpu, (float) temperature, (float) frequency);
gpuSetConstants(gpu); gpuSetConstants(gpu);
kGenerateRandoms(gpu); kGenerateRandoms(gpu);
prevTemp = temperature; prevTemp = temperature;
......
...@@ -712,7 +712,7 @@ void gpuSetCustomNonbondedParameters(gpuContext gpu, const vector<vector<double> ...@@ -712,7 +712,7 @@ void gpuSetCustomNonbondedParameters(gpuContext gpu, const vector<vector<double>
for (int i = 0; i < MAX_TABULATED_FUNCTIONS; i++) { for (int i = 0; i < MAX_TABULATED_FUNCTIONS; i++) {
gpuTabulatedFunction& func = gpu->tabulatedFunctions[i]; gpuTabulatedFunction& func = gpu->tabulatedFunctions[i];
if (func.coefficients != NULL) { if (func.coefficients != NULL) {
(*gpu->psTabulatedFunctionParams)[i] = make_float4(func.min, func.max, func.coefficients->_length/(func.max-func.min), 0.0f); (*gpu->psTabulatedFunctionParams)[i] = make_float4((float) func.min, (float) func.max, (float) (func.coefficients->_length/(func.max-func.min)), 0.0f);
functions[func.name] = fp; functions[func.name] = fp;
} }
} }
...@@ -722,7 +722,7 @@ void gpuSetCustomNonbondedParameters(gpuContext gpu, const vector<vector<double> ...@@ -722,7 +722,7 @@ void gpuSetCustomNonbondedParameters(gpuContext gpu, const vector<vector<double>
vector<string> variables; vector<string> variables;
variables.push_back("r"); variables.push_back("r");
for (int i = 0; i < paramNames.size(); i++) for (int i = 0; i < (int) paramNames.size(); i++)
variables.push_back(paramNames[i]); variables.push_back(paramNames[i]);
gpu->sim.customExpressionStackSize = 0; gpu->sim.customExpressionStackSize = 0;
SetCustomNonbondedEnergyExpression(createExpression<128>(gpu, energyExp, Lepton::Parser::parse(energyExp, functions).optimize().createProgram(), variables, globalParamNames, gpu->sim.customExpressionStackSize)); SetCustomNonbondedEnergyExpression(createExpression<128>(gpu, energyExp, Lepton::Parser::parse(energyExp, functions).optimize().createProgram(), variables, globalParamNames, gpu->sim.customExpressionStackSize));
...@@ -730,7 +730,7 @@ void gpuSetCustomNonbondedParameters(gpuContext gpu, const vector<vector<double> ...@@ -730,7 +730,7 @@ void gpuSetCustomNonbondedParameters(gpuContext gpu, const vector<vector<double>
Expression<64> paramExpressions[4]; Expression<64> paramExpressions[4];
vector<string> combiningRuleParams; vector<string> combiningRuleParams;
for (int j = 1; j < 3; j++) { for (int j = 1; j < 3; j++) {
for (int i = 0; i < paramNames.size(); i++) { for (int i = 0; i < (int) paramNames.size(); i++) {
stringstream name; stringstream name;
name << paramNames[i] << j; name << paramNames[i] << j;
combiningRuleParams.push_back(name.str()); combiningRuleParams.push_back(name.str());
...@@ -738,7 +738,7 @@ void gpuSetCustomNonbondedParameters(gpuContext gpu, const vector<vector<double> ...@@ -738,7 +738,7 @@ void gpuSetCustomNonbondedParameters(gpuContext gpu, const vector<vector<double>
for (int i = paramNames.size(); i < 4; i++) for (int i = paramNames.size(); i < 4; i++)
combiningRuleParams.push_back(""); combiningRuleParams.push_back("");
} }
for (int i = 0; i < paramNames.size(); i++) for (int i = 0; i < (int) paramNames.size(); i++)
paramExpressions[i] = createExpression<64>(gpu, combiningRules[i], Lepton::Parser::parse(combiningRules[i], functions).optimize().createProgram(), combiningRuleParams, globalParamNames, gpu->sim.customExpressionStackSize); paramExpressions[i] = createExpression<64>(gpu, combiningRules[i], Lepton::Parser::parse(combiningRules[i], functions).optimize().createProgram(), combiningRuleParams, globalParamNames, gpu->sim.customExpressionStackSize);
SetCustomNonbondedCombiningRules(paramExpressions); SetCustomNonbondedCombiningRules(paramExpressions);
delete fp; delete fp;
...@@ -846,12 +846,12 @@ void gpuSetPMEParameters(gpuContext gpu, float alpha, int gridSizeX, int gridSiz ...@@ -846,12 +846,12 @@ void gpuSetPMEParameters(gpuContext gpu, float alpha, int gridSizeX, int gridSiz
sc += bsplines_data[j]*cos(arg); sc += bsplines_data[j]*cos(arg);
ss += bsplines_data[j]*sin(arg); ss += bsplines_data[j]*sin(arg);
} }
(*gpu->psPmeBsplineModuli[dim])[i] = sc*sc+ss*ss; (*gpu->psPmeBsplineModuli[dim])[i] = (float) (sc*sc+ss*ss);
} }
for (int i = 0; i < ndata; i++) for (int i = 0; i < ndata; i++)
{ {
if ((*gpu->psPmeBsplineModuli[dim])[i] < 1.0e-7) if ((*gpu->psPmeBsplineModuli[dim])[i] < 1.0e-7)
(*gpu->psPmeBsplineModuli[dim])[i] = ((*gpu->psPmeBsplineModuli[dim])[i-1]+(*gpu->psPmeBsplineModuli[dim])[i+1])*0.5; (*gpu->psPmeBsplineModuli[dim])[i] = ((*gpu->psPmeBsplineModuli[dim])[i-1]+(*gpu->psPmeBsplineModuli[dim])[i+1])*0.5f;
} }
gpu->psPmeBsplineModuli[dim]->Upload(); gpu->psPmeBsplineModuli[dim]->Upload();
} }
...@@ -1146,7 +1146,7 @@ void gpuSetConstraintParameters(gpuContext gpu, const vector<int>& atom1, const ...@@ -1146,7 +1146,7 @@ void gpuSetConstraintParameters(gpuContext gpu, const vector<int>& atom1, const
// Compute the constraint coupling matrix // Compute the constraint coupling matrix
vector<vector<int> > atomAngles(gpu->natoms); vector<vector<int> > atomAngles(gpu->natoms);
for (int i = 0; i < gpu->sim.bond_angles; i++) for (int i = 0; i < (int) gpu->sim.bond_angles; i++)
atomAngles[(*gpu->psBondAngleID1)[i].y].push_back(i); atomAngles[(*gpu->psBondAngleID1)[i].y].push_back(i);
vector<vector<pair<int, double> > > matrix(numCCMA); vector<vector<pair<int, double> > > matrix(numCCMA);
if (numCCMA > 0) { if (numCCMA > 0) {
...@@ -1320,7 +1320,7 @@ void gpuSetConstraintParameters(gpuContext gpu, const vector<int>& atom1, const ...@@ -1320,7 +1320,7 @@ void gpuSetConstraintParameters(gpuContext gpu, const vector<int>& atom1, const
(*psCcmaReducedMass)[i] = 0.5f/(invMass1[c]+invMass2[c]); (*psCcmaReducedMass)[i] = 0.5f/(invMass1[c]+invMass2[c]);
for (unsigned int j = 0; j < matrix[index].size(); j++) { for (unsigned int j = 0; j < matrix[index].size(); j++) {
(*psConstraintMatrixColumn)[i+j*numCCMA] = matrix[index][j].first; (*psConstraintMatrixColumn)[i+j*numCCMA] = matrix[index][j].first;
(*psConstraintMatrixValue)[i+j*numCCMA] = matrix[index][j].second; (*psConstraintMatrixValue)[i+j*numCCMA] = (float) matrix[index][j].second;
} }
(*psConstraintMatrixColumn)[i+matrix[index].size()*numCCMA] = numCCMA; (*psConstraintMatrixColumn)[i+matrix[index].size()*numCCMA] = numCCMA;
} }
......
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