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Commit f12cb008 authored by Peter Eastman's avatar Peter Eastman
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Unified names of platform properties

parent 95584c96
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Showing with 82 additions and 51 deletions
examples/benchmark.py
View file @ f12cb008
......@@ -82,17 +82,12 @@ def runOneTest(testName, options):
properties = {}
initialSteps = 5
if options.device is not None:
if platform.getName() == 'CUDA':
properties['CudaDeviceIndex'] = options.device
elif platform.getName() == 'OpenCL':
properties['OpenCLDeviceIndex'] = options.device
if platform.getName() in ('CUDA', 'OpenCL'):
properties['DeviceIndex'] = options.device
if ',' in options.device or ' ' in options.device:
initialSteps = 250
if options.precision is not None:
if platform.getName() == 'CUDA':
properties['CudaPrecision'] = options.precision
elif platform.getName() == 'OpenCL':
properties['OpenCLPrecision'] = options.precision
if options.precision is not None and platform.getName() in ('CUDA', 'OpenCL'):
properties['Precision'] = options.precision
# Run the simulation.
......
olla/include/openmm/Platform.h
View file @ f12cb008
......@@ -9,7 +9,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2012 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -236,7 +236,9 @@ protected:
*/
const ContextImpl& getContextImpl(const Context& context) const;
std::vector<std::string> platformProperties;
std::map<std::string, std::string> deprecatedPropertyReplacements;
private:
friend class ContextImpl;
std::map<std::string, KernelFactory*> kernelFactories;
std::map<std::string, std::string> defaultProperties;
static std::vector<Platform*>& getPlatforms();
......
olla/src/Platform.cpp
View file @ f12cb008
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2012 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -89,15 +89,21 @@ void Platform::setPropertyValue(Context& context, const string& property, const
}
const string& Platform::getPropertyDefaultValue(const string& property) const {
map<string, string>::const_iterator value = defaultProperties.find(property);
string propertyName = property;
if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
propertyName = deprecatedPropertyReplacements.find(property)->second;
map<string, string>::const_iterator value = defaultProperties.find(propertyName);
if (value == defaultProperties.end())
throw OpenMMException("getPropertyDefaultValue: Illegal property name");
return value->second;
}
void Platform::setPropertyDefaultValue(const string& property, const string& value) {
string propertyName = property;
if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
propertyName = deprecatedPropertyReplacements.find(property)->second;
for (int i = 0; i < (int) platformProperties.size(); i++)
if (platformProperties[i] == property) {
if (platformProperties[i] == propertyName) {
defaultProperties[property] = value;
return;
}
......
openmmapi/src/ContextImpl.cpp
View file @ f12cb008
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2013 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -84,15 +84,20 @@ ContextImpl::ContextImpl(Context& owner, const System& system, Integrator& integ
// Validate the list of properties.
const vector<string>& platformProperties = platform->getPropertyNames();
map<string, string> validatedProperties;
for (map<string, string>::const_iterator iter = properties.begin(); iter != properties.end(); ++iter) {
string property = iter->first;
if (platform->deprecatedPropertyReplacements.find(property) != platform->deprecatedPropertyReplacements.end())
property = platform->deprecatedPropertyReplacements[property];
bool valid = false;
for (int i = 0; i < (int) platformProperties.size(); i++)
if (platformProperties[i] == iter->first) {
if (platformProperties[i] == property) {
valid = true;
break;
}
if (!valid)
throw OpenMMException("Illegal property name: "+iter->first);
validatedProperties[property] = iter->second;
}
// Find the list of kernels required.
......@@ -139,7 +144,7 @@ ContextImpl::ContextImpl(Context& owner, const System& system, Integrator& integ
for (int i = candidatePlatforms.size()-1; i >= 0; i--) {
try {
this->platform = platform = candidatePlatforms[i].second;
platform->contextCreated(*this, properties);
platform->contextCreated(*this, validatedProperties);
break;
}
catch (...) {
......
platforms/cpu/include/CpuPlatform.h
View file @ f12cb008
......@@ -9,7 +9,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2013 Stanford University and the Authors. *
* Portions copyright (c) 2013-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -64,7 +64,7 @@ public:
* This is the name of the parameter for selecting the number of threads to use.
*/
static const std::string& CpuThreads() {
static const std::string key = "CpuThreads";
static const std::string key = "Threads";
return key;
}
/**
......
platforms/cpu/src/CpuPlatform.cpp
View file @ f12cb008
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2013-2014 Stanford University and the Authors. *
* Portions copyright (c) 2013-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -59,6 +59,7 @@ extern "C" OPENMM_EXPORT_CPU void registerPlatforms() {
map<const ContextImpl*, CpuPlatform::PlatformData*> CpuPlatform::contextData;
CpuPlatform::CpuPlatform() {
deprecatedPropertyReplacements["CpuThreads"] = "Threads";
CpuKernelFactory* factory = new CpuKernelFactory();
registerKernelFactory(CalcForcesAndEnergyKernel::Name(), factory);
registerKernelFactory(CalcHarmonicAngleForceKernel::Name(), factory);
......@@ -83,7 +84,10 @@ CpuPlatform::CpuPlatform() {
const string& CpuPlatform::getPropertyValue(const Context& context, const string& property) const {
const ContextImpl& impl = getContextImpl(context);
const PlatformData& data = getPlatformData(impl);
map<string, string>::const_iterator value = data.propertyValues.find(property);
string propertyName = property;
if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
propertyName = deprecatedPropertyReplacements.find(property)->second;
map<string, string>::const_iterator value = data.propertyValues.find(propertyName);
if (value != data.propertyValues.end())
return value->second;
return ReferencePlatform::getPropertyValue(context, property);
......
platforms/cuda/include/CudaPlatform.h
View file @ f12cb008
......@@ -58,35 +58,35 @@ public:
* This is the name of the parameter for selecting which CUDA device or devices to use.
*/
static const std::string& CudaDeviceIndex() {
static const std::string key = "CudaDeviceIndex";
static const std::string key = "DeviceIndex";
return key;
}
/**
* This is the name of the parameter that reports the CUDA device or devices being used.
*/
static const std::string& CudaDeviceName() {
static const std::string key = "CudaDeviceName";
static const std::string key = "DeviceName";
return key;
}
/**
* This is the name of the parameter for selecting whether CUDA should sync or spin loop while waiting for results.
*/
static const std::string& CudaUseBlockingSync() {
static const std::string key = "CudaUseBlockingSync";
static const std::string key = "UseBlockingSync";
return key;
}
/**
* This is the name of the parameter for selecting what numerical precision to use.
*/
static const std::string& CudaPrecision() {
static const std::string key = "CudaPrecision";
static const std::string key = "Precision";
return key;
}
/**
* This is the name of the parameter for selecting whether to use the CPU based PME calculation.
*/
static const std::string& CudaUseCpuPme() {
static const std::string key = "CudaUseCpuPme";
static const std::string key = "UseCpuPme";
return key;
}
/**
......@@ -107,21 +107,21 @@ public:
* This is the name of the parameter for specifying the path to the directory for creating temporary files.
*/
static const std::string& CudaTempDirectory() {
static const std::string key = "CudaTempDirectory";
static const std::string key = "TempDirectory";
return key;
}
/**
* This is the name of the parameter for selecting whether to disable use of a separate stream for PME.
*/
static const std::string& CudaDisablePmeStream() {
static const std::string key = "CudaDisablePmeStream";
static const std::string key = "DisablePmeStream";
return key;
}
/**
* This is the name of the parameter for requesting that force computations be fully deterministic.
*/
static const std::string& CudaDeterministicForces() {
static const std::string key = "CudaDeterministicForces";
static const std::string key = "DeterministicForces";
return key;
}
};
......
platforms/cuda/src/CudaContext.cpp
View file @ f12cb008
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2009-2015 Stanford University and the Authors. *
* Portions copyright (c) 2009-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -106,7 +106,7 @@ CudaContext::CudaContext(const System& system, int deviceIndex, bool useBlocking
useMixedPrecision = false;
}
else
throw OpenMMException("Illegal value for CudaPrecision: "+precision);
throw OpenMMException("Illegal value for Precision: "+precision);
char* cacheVariable = getenv("OPENMM_CACHE_DIR");
cacheDir = (cacheVariable == NULL ? tempDir : string(cacheVariable));
#ifdef WIN32
......@@ -121,7 +121,7 @@ CudaContext::CudaContext(const System& system, int deviceIndex, bool useBlocking
string errorMessage = "Error initializing Context";
CHECK_RESULT(cuDeviceGetCount(&numDevices));
if (deviceIndex < -1 || deviceIndex >= numDevices)
throw OpenMMException("Illegal value for CudaDeviceIndex: "+intToString(deviceIndex));
throw OpenMMException("Illegal value for DeviceIndex: "+intToString(deviceIndex));
vector<int> devicePrecedence;
if (deviceIndex == -1) {
......
platforms/cuda/src/CudaPlatform.cpp
View file @ f12cb008
......@@ -62,6 +62,14 @@ extern "C" OPENMM_EXPORT_CUDA void registerPlatforms() {
#endif
CudaPlatform::CudaPlatform() {
deprecatedPropertyReplacements["CudaDeviceIndex"] = "DeviceIndex";
deprecatedPropertyReplacements["CudaDeviceName"] = "DeviceName";
deprecatedPropertyReplacements["CudaUseBlockingSync"] = "UseBlockingSync";
deprecatedPropertyReplacements["CudaPrecision"] = "Precision";
deprecatedPropertyReplacements["CudaUseCpuPme"] = "UseCpuPme";
deprecatedPropertyReplacements["CudaTempDirectory"] = "TempDirectory";
deprecatedPropertyReplacements["CudaDisablePmeStream"] = "DisablePmeStream";
deprecatedPropertyReplacements["CudaDeterministicForces"] = "DeterministicForces";
CudaKernelFactory* factory = new CudaKernelFactory();
registerKernelFactory(CalcForcesAndEnergyKernel::Name(), factory);
registerKernelFactory(UpdateStateDataKernel::Name(), factory);
......@@ -144,7 +152,10 @@ bool CudaPlatform::supportsDoublePrecision() const {
const string& CudaPlatform::getPropertyValue(const Context& context, const string& property) const {
const ContextImpl& impl = getContextImpl(context);
const PlatformData* data = reinterpret_cast<const PlatformData*>(impl.getPlatformData());
map<string, string>::const_iterator value = data->propertyValues.find(property);
string propertyName = property;
if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
propertyName = deprecatedPropertyReplacements.find(property)->second;
map<string, string>::const_iterator value = data->propertyValues.find(propertyName);
if (value != data->propertyValues.end())
return value->second;
return Platform::getPropertyValue(context, property);
......
platforms/cuda/tests/CudaTests.h
View file @ f12cb008
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Portions copyright (c) 2015-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -39,5 +39,5 @@ OpenMM::CudaPlatform platform;
void initializeTests(int argc, char* argv[]) {
if (argc > 1)
platform.setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
platform.setPropertyDefaultValue("Precision", std::string(argv[1]));
}
platforms/opencl/include/OpenCLPlatform.h
View file @ f12cb008
......@@ -58,14 +58,14 @@ public:
* This is the name of the parameter for selecting which OpenCL device or devices to use.
*/
static const std::string& OpenCLDeviceIndex() {
static const std::string key = "OpenCLDeviceIndex";
static const std::string key = "DeviceIndex";
return key;
}
/**
* This is the name of the parameter that reports the OpenCL device or devices being used.
*/
static const std::string& OpenCLDeviceName() {
static const std::string key = "OpenCLDeviceName";
static const std::string key = "DeviceName";
return key;
}
/**
......@@ -86,21 +86,21 @@ public:
* This is the name of the parameter for selecting what numerical precision to use.
*/
static const std::string& OpenCLPrecision() {
static const std::string key = "OpenCLPrecision";
static const std::string key = "Precision";
return key;
}
/**
* This is the name of the parameter for selecting whether to use the CPU based PME calculation.
*/
static const std::string& OpenCLUseCpuPme() {
static const std::string key = "OpenCLUseCpuPme";
static const std::string key = "UseCpuPme";
return key;
}
/**
* This is the name of the parameter for selecting whether to disable use of a separate stream for PME.
*/
static const std::string& OpenCLDisablePmeStream() {
static const std::string key = "OpenCLDisablePmeStream";
static const std::string key = "DisablePmeStream";
return key;
}
};
......
platforms/opencl/src/OpenCLContext.cpp
View file @ f12cb008
......@@ -84,7 +84,7 @@ OpenCLContext::OpenCLContext(const System& system, int platformIndex, int device
useMixedPrecision = false;
}
else
throw OpenMMException("Illegal value for OpenCLPrecision: "+precision);
throw OpenMMException("Illegal value for Precision: "+precision);
try {
contextIndex = platformData.contexts.size();
std::vector<cl::Platform> platforms;
......@@ -105,7 +105,7 @@ OpenCLContext::OpenCLContext(const System& system, int platformIndex, int device
vector<cl::Device> devices;
platforms[j].getDevices(CL_DEVICE_TYPE_ALL, &devices);
if (deviceIndex < -1 || deviceIndex >= (int) devices.size())
throw OpenMMException("Illegal value for OpenCLDeviceIndex: "+intToString(deviceIndex));
throw OpenMMException("Illegal value for DeviceIndex: "+intToString(deviceIndex));
for (int i = 0; i < (int) devices.size(); i++) {
// If they supplied a valid deviceIndex, we only look through that one
......
platforms/opencl/src/OpenCLPlatform.cpp
View file @ f12cb008
......@@ -56,6 +56,11 @@ extern "C" OPENMM_EXPORT_OPENCL void registerPlatforms() {
#endif
OpenCLPlatform::OpenCLPlatform() {
deprecatedPropertyReplacements["OpenCLDeviceIndex"] = "DeviceIndex";
deprecatedPropertyReplacements["OpenCLDeviceName"] = "DeviceName";
deprecatedPropertyReplacements["OpenCLPrecision"] = "Precision";
deprecatedPropertyReplacements["OpenCLUseCpuPme"] = "UseCpuPme";
deprecatedPropertyReplacements["OpenCLDisablePmeStream"] = "DisablePmeStream";
OpenCLKernelFactory* factory = new OpenCLKernelFactory();
registerKernelFactory(CalcForcesAndEnergyKernel::Name(), factory);
registerKernelFactory(UpdateStateDataKernel::Name(), factory);
......@@ -139,7 +144,10 @@ bool OpenCLPlatform::isPlatformSupported() {
const string& OpenCLPlatform::getPropertyValue(const Context& context, const string& property) const {
const ContextImpl& impl = getContextImpl(context);
const PlatformData* data = reinterpret_cast<const PlatformData*>(impl.getPlatformData());
map<string, string>::const_iterator value = data->propertyValues.find(property);
string propertyName = property;
if (deprecatedPropertyReplacements.find(property) != deprecatedPropertyReplacements.end())
propertyName = deprecatedPropertyReplacements.find(property)->second;
map<string, string>::const_iterator value = data->propertyValues.find(propertyName);
if (value != data->propertyValues.end())
return value->second;
return Platform::getPropertyValue(context, property);
......
platforms/opencl/tests/OpenCLTests.h
View file @ f12cb008
......@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2015 Stanford University and the Authors. *
* Portions copyright (c) 2015-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -39,9 +39,9 @@ OpenMM::OpenCLPlatform platform;
void initializeTests(int argc, char* argv[]) {
if (argc > 1)
platform.setPropertyDefaultValue("OpenCLPrecision", std::string(argv[1]));
platform.setPropertyDefaultValue("Precision", std::string(argv[1]));
if (argc > 2)
platform.setPropertyDefaultValue("OpenCLPlatformIndex", std::string(argv[2]));
if (argc > 3)
platform.setPropertyDefaultValue("OpenCLDeviceIndex", std::string(argv[3]));
platform.setPropertyDefaultValue("DeviceIndex", std::string(argv[3]));
}
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaAngleForce.cpp
View file @ f12cb008
......@@ -329,7 +329,7 @@ int main(int argc, char* argv[]) {
std::cout << "TestCudaAmoebaAngleForce running test..." << std::endl;
registerAmoebaCudaKernelFactories();
if (argc > 1)
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
testOneAngle();
testPeriodic();
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaBondForce.cpp
View file @ f12cb008
......@@ -248,7 +248,7 @@ int main(int argc, char* argv[]) {
std::cout << "TestCudaAmoebaBondForce running test..." << std::endl;
registerAmoebaCudaKernelFactories();
if (argc > 1)
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
testTwoBond();
testPeriodic();
} catch(const std::exception& e) {
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaGeneralizedKirkwoodForce.cpp
View file @ f12cb008
......@@ -8460,7 +8460,7 @@ int main(int argc, char* argv[]) {
std::cout << "TestCudaAmoebaGeneralizedKirkwoodForce running test..." << std::endl;
registerAmoebaCudaKernelFactories();
if (argc > 1)
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
 
// test direct and mutual polarization cases and
// mutual polarization w/ the cavity term
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaInPlaneAngleForce.cpp
View file @ f12cb008
......@@ -395,7 +395,7 @@ int main(int argc, char* argv[]) {
std::cout << "TestCudaAmoebaInPlaneAngleForce running test..." << std::endl;
registerAmoebaCudaKernelFactories();
if (argc > 1)
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
testOneAngle();
testPeriodic();
} catch(const std::exception& e) {
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
View file @ f12cb008
......@@ -3066,7 +3066,7 @@ int main(int argc, char* argv[]) {
std::cout << "TestCudaAmoebaMultipoleForce running test..." << std::endl;
registerAmoebaCudaKernelFactories();
if (argc > 1)
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
// tests using two ammonia molecules
......
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaOutOfPlaneBendForce.cpp
View file @ f12cb008
......@@ -490,7 +490,7 @@ int main(int argc, char* argv[]) {
std::cout << "TestCudaAmoebaOutOfPlaneBendForce running test..." << std::endl;
registerAmoebaCudaKernelFactories();
if (argc > 1)
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("CudaPrecision", std::string(argv[1]));
Platform::getPlatformByName("CUDA").setPropertyDefaultValue("Precision", std::string(argv[1]));
testOneOutOfPlaneBend();
testPeriodic();
......
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