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Commit 3a0fa3b2 authored by Peter Eastman's avatar Peter Eastman
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Created property for disabling the PME stream

parent a07aace0
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Showing with 58 additions and 28 deletions
platforms/cuda/include/CudaPlatform.h
View file @ 3a0fa3b2
......@@ -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: *
* *
......@@ -109,19 +109,27 @@ public:
static const std::string key = "CudaTempDirectory";
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";
return key;
}
};
class OPENMM_EXPORT_CUDA CudaPlatform::PlatformData {
public:
PlatformData(ContextImpl* context, const System& system, const std::string& deviceIndexProperty, const std::string& blockingProperty, const std::string& precisionProperty,
const std::string& cpuPmeProperty, const std::string& compilerProperty, const std::string& tempProperty, const std::string& hostCompilerProperty);
const std::string& cpuPmeProperty, const std::string& compilerProperty, const std::string& tempProperty, const std::string& hostCompilerProperty,
const std::string& pmeStreamProperty);
~PlatformData();
void initializeContexts(const System& system);
void syncContexts();
ContextImpl* context;
std::vector<CudaContext*> contexts;
std::vector<double> contextEnergy;
bool hasInitializedContexts, removeCM, peerAccessSupported, useCpuPme;
bool hasInitializedContexts, removeCM, peerAccessSupported, useCpuPme, disablePmeStream;
int cmMotionFrequency;
int stepCount, computeForceCount;
double time;
......
platforms/cuda/src/CudaKernels.cpp
View file @ 3a0fa3b2
......@@ -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) 2008-2015 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -1645,7 +1645,7 @@ void CudaCalcNonbondedForceKernel::initialize(const System& system, const Nonbon
ewaldSelfEnergy = -ONE_4PI_EPS0*alpha*sumSquaredCharges/sqrt(M_PI);
char deviceName[100];
cuDeviceGetName(deviceName, 100, cu.getDevice());
usePmeStream = (string(deviceName) != "GeForce GTX 980"); // Using a separate stream is slower on GTX 980
usePmeStream = (!cu.getPlatformData().disablePmeStream && string(deviceName) != "GeForce GTX 980"); // Using a separate stream is slower on GTX 980
pmeDefines["PME_ORDER"] = cu.intToString(PmeOrder);
pmeDefines["NUM_ATOMS"] = cu.intToString(numParticles);
pmeDefines["PADDED_NUM_ATOMS"] = cu.intToString(cu.getPaddedNumAtoms());
......
platforms/cuda/src/CudaPlatform.cpp
View file @ 3a0fa3b2
......@@ -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: *
* *
......@@ -100,11 +100,13 @@ CudaPlatform::CudaPlatform() {
platformProperties.push_back(CudaCompiler());
platformProperties.push_back(CudaTempDirectory());
platformProperties.push_back(CudaHostCompiler());
platformProperties.push_back(CudaDisablePmeStream());
setPropertyDefaultValue(CudaDeviceIndex(), "");
setPropertyDefaultValue(CudaDeviceName(), "");
setPropertyDefaultValue(CudaUseBlockingSync(), "true");
setPropertyDefaultValue(CudaPrecision(), "single");
setPropertyDefaultValue(CudaUseCpuPme(), "false");
setPropertyDefaultValue(CudaDisablePmeStream(), "false");
#ifdef _MSC_VER
char* bindir = getenv("CUDA_BIN_PATH");
string nvcc = (bindir == NULL ? "nvcc.exe" : string(bindir)+"\\nvcc.exe");
......@@ -163,14 +165,17 @@ void CudaPlatform::contextCreated(ContextImpl& context, const map<string, string
getPropertyDefaultValue(CudaTempDirectory()) : properties.find(CudaTempDirectory())->second);
const string& hostCompilerPropValue = (properties.find(CudaHostCompiler()) == properties.end() ?
getPropertyDefaultValue(CudaHostCompiler()) : properties.find(CudaHostCompiler())->second);
string pmeStreamPropValue = (properties.find(CudaDisablePmeStream()) == properties.end() ?
getPropertyDefaultValue(CudaDisablePmeStream()) : properties.find(CudaDisablePmeStream())->second);
transform(blockingPropValue.begin(), blockingPropValue.end(), blockingPropValue.begin(), ::tolower);
transform(precisionPropValue.begin(), precisionPropValue.end(), precisionPropValue.begin(), ::tolower);
transform(cpuPmePropValue.begin(), cpuPmePropValue.end(), cpuPmePropValue.begin(), ::tolower);
transform(pmeStreamPropValue.begin(), pmeStreamPropValue.end(), pmeStreamPropValue.begin(), ::tolower);
vector<string> pmeKernelName;
pmeKernelName.push_back(CalcPmeReciprocalForceKernel::Name());
if (!supportsKernels(pmeKernelName))
cpuPmePropValue = "false";
context.setPlatformData(new PlatformData(&context, context.getSystem(), devicePropValue, blockingPropValue, precisionPropValue, cpuPmePropValue, compilerPropValue, tempPropValue, hostCompilerPropValue));
context.setPlatformData(new PlatformData(&context, context.getSystem(), devicePropValue, blockingPropValue, precisionPropValue, cpuPmePropValue, compilerPropValue, tempPropValue, hostCompilerPropValue, pmeStreamPropValue));
}
void CudaPlatform::contextDestroyed(ContextImpl& context) const {
......@@ -179,7 +184,7 @@ void CudaPlatform::contextDestroyed(ContextImpl& context) const {
}
CudaPlatform::PlatformData::PlatformData(ContextImpl* context, const System& system, const string& deviceIndexProperty, const string& blockingProperty, const string& precisionProperty,
const string& cpuPmeProperty, const string& compilerProperty, const string& tempProperty, const string& hostCompilerProperty) : context(context), removeCM(false), stepCount(0), computeForceCount(0), time(0.0), hasInitializedContexts(false) {
const string& cpuPmeProperty, const string& compilerProperty, const string& tempProperty, const string& hostCompilerProperty, const string& pmeStreamProperty) : context(context), removeCM(false), stepCount(0), computeForceCount(0), time(0.0), hasInitializedContexts(false) {
bool blocking = (blockingProperty == "true");
vector<string> devices;
size_t searchPos = 0, nextPos;
......@@ -218,6 +223,7 @@ CudaPlatform::PlatformData::PlatformData(ContextImpl* context, const System& sys
deviceName << name;
}
useCpuPme = (cpuPmeProperty == "true" && !contexts[0]->getUseDoublePrecision());
disablePmeStream = (pmeStreamProperty == "true");
propertyValues[CudaPlatform::CudaDeviceIndex()] = deviceIndex.str();
propertyValues[CudaPlatform::CudaDeviceName()] = deviceName.str();
propertyValues[CudaPlatform::CudaUseBlockingSync()] = blocking ? "true" : "false";
......@@ -226,6 +232,7 @@ CudaPlatform::PlatformData::PlatformData(ContextImpl* context, const System& sys
propertyValues[CudaPlatform::CudaCompiler()] = compilerProperty;
propertyValues[CudaPlatform::CudaTempDirectory()] = tempProperty;
propertyValues[CudaPlatform::CudaHostCompiler()] = hostCompilerProperty;
propertyValues[CudaPlatform::CudaDisablePmeStream()] = disablePmeStream ? "true" : "false";
contextEnergy.resize(contexts.size());
// Determine whether peer-to-peer copying is supported, and enable it if so.
......
platforms/cuda/tests/TestCudaFFT3D.cpp
View file @ 3a0fa3b2
......@@ -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) 2011-2015 Stanford University and the Authors. *
* Portions copyright (c) 2011-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -56,7 +56,7 @@ void testTransform(bool realToComplex, int xsize, int ysize, int zsize) {
system.addParticle(0.0);
CudaPlatform::PlatformData platformData(NULL, system, "", "true", platform.getPropertyDefaultValue("CudaPrecision"), "false",
platform.getPropertyDefaultValue(CudaPlatform::CudaCompiler()), platform.getPropertyDefaultValue(CudaPlatform::CudaTempDirectory()),
platform.getPropertyDefaultValue(CudaPlatform::CudaHostCompiler()));
platform.getPropertyDefaultValue(CudaPlatform::CudaHostCompiler()), platform.getPropertyDefaultValue(CudaPlatform::CudaDisablePmeStream()));
CudaContext& context = *platformData.contexts[0];
context.initialize();
OpenMM_SFMT::SFMT sfmt;
......
platforms/cuda/tests/TestCudaRandom.cpp
View file @ 3a0fa3b2
......@@ -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: *
* *
......@@ -56,7 +56,7 @@ void testGaussian() {
system.addParticle(1.0);
CudaPlatform::PlatformData platformData(NULL, system, "", "true", platform.getPropertyDefaultValue("CudaPrecision"), "false",
platform.getPropertyDefaultValue(CudaPlatform::CudaCompiler()), platform.getPropertyDefaultValue(CudaPlatform::CudaTempDirectory()),
platform.getPropertyDefaultValue(CudaPlatform::CudaHostCompiler()));
platform.getPropertyDefaultValue(CudaPlatform::CudaHostCompiler()), platform.getPropertyDefaultValue(CudaPlatform::CudaDisablePmeStream()));
CudaContext& context = *platformData.contexts[0];
context.initialize();
context.getIntegrationUtilities().initRandomNumberGenerator(0);
......
platforms/cuda/tests/TestCudaSort.cpp
View file @ 3a0fa3b2
......@@ -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: *
* *
......@@ -66,7 +66,7 @@ void verifySorting(vector<float> array) {
system.addParticle(0.0);
CudaPlatform::PlatformData platformData(NULL, system, "", "true", platform.getPropertyDefaultValue("CudaPrecision"), "false",
platform.getPropertyDefaultValue(CudaPlatform::CudaCompiler()), platform.getPropertyDefaultValue(CudaPlatform::CudaTempDirectory()),
platform.getPropertyDefaultValue(CudaPlatform::CudaHostCompiler()));
platform.getPropertyDefaultValue(CudaPlatform::CudaHostCompiler()), platform.getPropertyDefaultValue(CudaPlatform::CudaDisablePmeStream()));
CudaContext& context = *platformData.contexts[0];
context.initialize();
CudaArray data(context, array.size(), 4, "sortData");
......
platforms/opencl/include/OpenCLPlatform.h
View file @ 3a0fa3b2
......@@ -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 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -95,18 +95,26 @@ public:
static const std::string key = "OpenCLUseCpuPme";
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";
return key;
}
};
class OPENMM_EXPORT_OPENCL OpenCLPlatform::PlatformData {
public:
PlatformData(const System& system, const std::string& platformPropValue, const std::string& deviceIndexProperty, const std::string& precisionProperty, const std::string& cpuPmeProperty);
PlatformData(const System& system, const std::string& platformPropValue, const std::string& deviceIndexProperty, const std::string& precisionProperty,
const std::string& cpuPmeProperty, const std::string& pmeStreamProperty);
~PlatformData();
void initializeContexts(const System& system);
void syncContexts();
ContextImpl* context;
std::vector<OpenCLContext*> contexts;
std::vector<double> contextEnergy;
bool hasInitializedContexts, removeCM, useCpuPme;
bool hasInitializedContexts, removeCM, useCpuPme, disablePmeStream;
int cmMotionFrequency;
int stepCount, computeForceCount;
double time;
......
platforms/opencl/src/OpenCLKernels.cpp
View file @ 3a0fa3b2
......@@ -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) 2008-2015 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -1685,7 +1685,7 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb
bool isNvidia = (vendor.size() >= 6 && vendor.substr(0, 6) == "NVIDIA");
if (isNvidia)
pmeDefines["USE_ALTERNATE_MEMORY_ACCESS_PATTERN"] = "1";
usePmeQueue = isNvidia;
usePmeQueue = (!cl.getPlatformData().disablePmeStream && isNvidia);
if (usePmeQueue) {
pmeDefines["USE_PME_STREAM"] = "1";
pmeQueue = cl::CommandQueue(cl.getContext(), cl.getDevice());
......
platforms/opencl/src/OpenCLPlatform.cpp
View file @ 3a0fa3b2
......@@ -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 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -92,12 +92,14 @@ OpenCLPlatform::OpenCLPlatform() {
platformProperties.push_back(OpenCLPlatformName());
platformProperties.push_back(OpenCLPrecision());
platformProperties.push_back(OpenCLUseCpuPme());
platformProperties.push_back(OpenCLDisablePmeStream());
setPropertyDefaultValue(OpenCLDeviceIndex(), "");
setPropertyDefaultValue(OpenCLDeviceName(), "");
setPropertyDefaultValue(OpenCLPlatformIndex(), "");
setPropertyDefaultValue(OpenCLPlatformName(), "");
setPropertyDefaultValue(OpenCLPrecision(), "single");
setPropertyDefaultValue(OpenCLUseCpuPme(), "false");
setPropertyDefaultValue(OpenCLDisablePmeStream(), "false");
}
double OpenCLPlatform::getSpeed() const {
......@@ -154,13 +156,16 @@ void OpenCLPlatform::contextCreated(ContextImpl& context, const map<string, stri
getPropertyDefaultValue(OpenCLPrecision()) : properties.find(OpenCLPrecision())->second);
string cpuPmePropValue = (properties.find(OpenCLUseCpuPme()) == properties.end() ?
getPropertyDefaultValue(OpenCLUseCpuPme()) : properties.find(OpenCLUseCpuPme())->second);
string pmeStreamPropValue = (properties.find(OpenCLDisablePmeStream()) == properties.end() ?
getPropertyDefaultValue(OpenCLDisablePmeStream()) : properties.find(OpenCLDisablePmeStream())->second);
transform(precisionPropValue.begin(), precisionPropValue.end(), precisionPropValue.begin(), ::tolower);
transform(cpuPmePropValue.begin(), cpuPmePropValue.end(), cpuPmePropValue.begin(), ::tolower);
transform(pmeStreamPropValue.begin(), pmeStreamPropValue.end(), pmeStreamPropValue.begin(), ::tolower);
vector<string> pmeKernelName;
pmeKernelName.push_back(CalcPmeReciprocalForceKernel::Name());
if (!supportsKernels(pmeKernelName))
cpuPmePropValue = "false";
context.setPlatformData(new PlatformData(context.getSystem(), platformPropValue, devicePropValue, precisionPropValue, cpuPmePropValue));
context.setPlatformData(new PlatformData(context.getSystem(), platformPropValue, devicePropValue, precisionPropValue, cpuPmePropValue, pmeStreamPropValue));
}
void OpenCLPlatform::contextDestroyed(ContextImpl& context) const {
......@@ -169,7 +174,7 @@ void OpenCLPlatform::contextDestroyed(ContextImpl& context) const {
}
OpenCLPlatform::PlatformData::PlatformData(const System& system, const string& platformPropValue, const string& deviceIndexProperty,
const string& precisionProperty, const string& cpuPmeProperty) : removeCM(false), stepCount(0), computeForceCount(0), time(0.0), hasInitializedContexts(false) {
const string& precisionProperty, const string& cpuPmeProperty, const string& pmeStreamProperty) : removeCM(false), stepCount(0), computeForceCount(0), time(0.0), hasInitializedContexts(false) {
int platformIndex = -1;
if (platformPropValue.length() > 0)
stringstream(platformPropValue) >> platformIndex;
......@@ -210,6 +215,7 @@ OpenCLPlatform::PlatformData::PlatformData(const System& system, const string& p
platformIndex = contexts[0]->getPlatformIndex();
useCpuPme = (cpuPmeProperty == "true" && !contexts[0]->getUseDoublePrecision());
disablePmeStream = (pmeStreamProperty == "true");
propertyValues[OpenCLPlatform::OpenCLDeviceIndex()] = deviceIndex.str();
propertyValues[OpenCLPlatform::OpenCLDeviceName()] = deviceName.str();
propertyValues[OpenCLPlatform::OpenCLPlatformIndex()] = contexts[0]->intToString(platformIndex);
......@@ -218,6 +224,7 @@ OpenCLPlatform::PlatformData::PlatformData(const System& system, const string& p
propertyValues[OpenCLPlatform::OpenCLPlatformName()] = platforms[platformIndex].getInfo<CL_PLATFORM_NAME>();
propertyValues[OpenCLPlatform::OpenCLPrecision()] = precisionProperty;
propertyValues[OpenCLPlatform::OpenCLUseCpuPme()] = useCpuPme ? "true" : "false";
propertyValues[OpenCLPlatform::OpenCLDisablePmeStream()] = disablePmeStream ? "true" : "false";
contextEnergy.resize(contexts.size());
}
......
platforms/opencl/tests/TestOpenCLFFT.cpp
View file @ 3a0fa3b2
......@@ -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) 2011-2015 Stanford University and the Authors. *
* Portions copyright (c) 2011-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -54,7 +54,7 @@ template <class Real2>
void testTransform(bool realToComplex, int xsize, int ysize, int zsize) {
System system;
system.addParticle(0.0);
OpenCLPlatform::PlatformData platformData(system, "", "", platform.getPropertyDefaultValue("OpenCLPrecision"), "false");
OpenCLPlatform::PlatformData platformData(system, "", "", platform.getPropertyDefaultValue("OpenCLPrecision"), "false", "false");
OpenCLContext& context = *platformData.contexts[0];
context.initialize();
OpenMM_SFMT::SFMT sfmt;
......
platforms/opencl/tests/TestOpenCLRandom.cpp
View file @ 3a0fa3b2
......@@ -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) 2008-2009 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -54,7 +54,7 @@ void testGaussian() {
System system;
for (int i = 0; i < numAtoms; i++)
system.addParticle(1.0);
OpenCLPlatform::PlatformData platformData(system, "", "", platform.getPropertyDefaultValue("OpenCLPrecision"), "false");
OpenCLPlatform::PlatformData platformData(system, "", "", platform.getPropertyDefaultValue("OpenCLPrecision"), "false", "false");
OpenCLContext& context = *platformData.contexts[0];
context.initialize();
context.getIntegrationUtilities().initRandomNumberGenerator(0);
......
platforms/opencl/tests/TestOpenCLSort.cpp
View file @ 3a0fa3b2
......@@ -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) 2008-2009 Stanford University and the Authors. *
* Portions copyright (c) 2008-2016 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
......@@ -64,7 +64,7 @@ void verifySorting(vector<float> array) {
System system;
system.addParticle(0.0);
OpenCLPlatform::PlatformData platformData(system, "", "", platform.getPropertyDefaultValue("OpenCLPrecision"), "false");
OpenCLPlatform::PlatformData platformData(system, "", "", platform.getPropertyDefaultValue("OpenCLPrecision"), "false", "false");
OpenCLContext& context = *platformData.contexts[0];
context.initialize();
OpenCLArray data(context, array.size(), sizeof(float), "sortData");
......
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