Gromacs
2022.1
|
#include <memory>
#include <string>
#include <vector>
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/iserializer.h"
Declares functions to manage GPU resources.
This has several implementations: one for each supported GPU platform, and a stub implementation if the build does not support GPUs.
Classes | |
class | gmx::ArrayRef< typename > |
STL-like interface to a C array of T (or part of a std container of T). More... | |
Functions | |
void | warnWhenDeviceNotTargeted (const gmx::MDLogger &mdlog, const DeviceInformation &deviceInfo) |
Warn to the logger when the detected device was not one of the targets selected at configure time for compilation. More... | |
bool | canPerformDeviceDetection (std::string *errorMessage) |
Return whether GPUs can be detected. More... | |
bool | isDeviceDetectionEnabled () |
Return whether GPU detection is enabled. More... | |
bool | isDeviceDetectionFunctional (std::string *errorMessage) |
Return whether GPU detection is functioning correctly. More... | |
DeviceVendor | getDeviceVendor (const char *vendorName) |
Returns an DeviceVendor value corresponding to the input OpenCL vendor name. More... | |
std::vector< std::unique_ptr < DeviceInformation > > | findDevices () |
Find all GPUs in the system. More... | |
std::vector < std::reference_wrapper < DeviceInformation > > | getCompatibleDevices (const std::vector< std::unique_ptr< DeviceInformation >> &deviceInfoList) |
Return a container of device-information handles that are compatible. More... | |
std::vector< int > | getCompatibleDeviceIds (gmx::ArrayRef< const std::unique_ptr< DeviceInformation >> deviceInfoList) |
Return a container of the IDs of the compatible GPU ids. More... | |
bool | deviceIdIsCompatible (gmx::ArrayRef< const std::unique_ptr< DeviceInformation >> deviceInfoList, int deviceId) |
Return whether deviceId is found in deviceInfoList and is compatible. More... | |
void | setActiveDevice (const DeviceInformation &deviceInfo) |
Set the active GPU. More... | |
void | releaseDevice (DeviceInformation *deviceInfo) |
Releases the GPU device used by the active context at the time of calling (CUDA only). More... | |
std::string | getDeviceInformationString (const DeviceInformation &deviceInfo) |
Formats and returns a device information string for a given GPU. More... | |
std::string | getDeviceCompatibilityDescription (gmx::ArrayRef< const std::unique_ptr< DeviceInformation >> deviceInfoList, int deviceId) |
Return a string describing how compatible the GPU with given deviceId is. More... | |
void | serializeDeviceInformations (const std::vector< std::unique_ptr< DeviceInformation >> &deviceInfoList, gmx::ISerializer *serializer) |
Serialization of information on devices for MPI broadcasting. More... | |
std::vector< std::unique_ptr < DeviceInformation > > | deserializeDeviceInformations (gmx::ISerializer *serializer) |
Deserialization of information on devices after MPI broadcasting. More... | |
bool canPerformDeviceDetection | ( | std::string * | errorMessage | ) |
Return whether GPUs can be detected.
Returns true when this is a build of GROMACS configured to support GPU usage, GPU detection is not disabled by GMX_DISABLE_GPU_DETECTION
environment variable and a valid device driver, ICD, and/or runtime was detected. Does not throw.
[out] | errorMessage | When returning false on a build configured with GPU support and non-nullptr was passed, the string contains a descriptive message about why GPUs cannot be detected. |
std::vector<std::unique_ptr<DeviceInformation> > deserializeDeviceInformations | ( | gmx::ISerializer * | serializer | ) |
Deserialization of information on devices after MPI broadcasting.
[in] | serializer | Serializing object. |
bool deviceIdIsCompatible | ( | gmx::ArrayRef< const std::unique_ptr< DeviceInformation >> | deviceInfoList, |
int | deviceId | ||
) |
Return whether deviceId
is found in deviceInfoList
and is compatible.
This function filters the result of the detection for compatible GPUs, based on the previously run compatibility tests.
[in] | deviceInfoList | An information on available devices. |
[in] | deviceId | The device ID to find in the list. |
RangeError | If deviceId does not match the id of any device in deviceInfoList |
deviceId
is compatible. std::vector<std::unique_ptr<DeviceInformation> > findDevices | ( | ) |
Find all GPUs in the system.
Will detect every GPU supported by the device driver in use. Must only be called if canPerformDeviceDetection()
has returned true. This routine also checks for the compatibility of each device and fill the deviceInfo array with the required information on each device: ID, device properties, status.
Note that this function leaves the GPU runtime API error state clean; this is implemented ATM in the CUDA flavor. This invalidates any existing CUDA streams, allocated memory on GPU, etc.
InternalError | if a GPU API returns an unexpected failure (because the call to canDetectGpus() should always prevent this occuring) |
std::vector<int> getCompatibleDeviceIds | ( | gmx::ArrayRef< const std::unique_ptr< DeviceInformation >> | deviceInfoList | ) |
Return a container of the IDs of the compatible GPU ids.
This function filters the result of the detection for compatible GPUs, based on the previously run compatibility tests.
[in] | deviceInfoList | An information on available devices. |
std::vector<std::reference_wrapper<DeviceInformation> > getCompatibleDevices | ( | const std::vector< std::unique_ptr< DeviceInformation >> & | deviceInfoList | ) |
Return a container of device-information handles that are compatible.
This function filters the result of the detection for compatible GPUs, based on the previously run compatibility tests.
[in] | deviceInfoList | An information on available devices. |
std::string getDeviceCompatibilityDescription | ( | gmx::ArrayRef< const std::unique_ptr< DeviceInformation >> | deviceInfoList, |
int | deviceId | ||
) |
Return a string describing how compatible the GPU with given deviceId
is.
[in] | deviceInfoList | An information on available devices. |
[in] | deviceId | An index of the device to check |
std::string getDeviceInformationString | ( | const DeviceInformation & | deviceInfo | ) |
Formats and returns a device information string for a given GPU.
Given an index directly into the array of available GPUs, returns a formatted info string for the respective GPU which includes ID, name, compute capability, and detection status.
[in] | deviceInfo | An information on device that is to be set. |
DeviceVendor getDeviceVendor | ( | const char * | vendorName | ) |
Returns an DeviceVendor value corresponding to the input OpenCL vendor name.
bool isDeviceDetectionEnabled | ( | ) |
Return whether GPU detection is enabled.
Returns true when this is a build of GROMACS configured to support GPU usage and GPU detection is not disabled by GMX_DISABLE_GPU_DETECTION
environment variable.
Does not throw.
bool isDeviceDetectionFunctional | ( | std::string * | errorMessage | ) |
Return whether GPU detection is functioning correctly.
Returns true when this is a build of GROMACS configured to support GPU usage, and a valid device driver, ICD, and/or runtime was detected.
This function is not intended to be called from build configurations that do not support GPUs, and there will be no descriptive message in that case.
[out] | errorMessage | When returning false on a build configured with GPU support and non-nullptr was passed, the string contains a descriptive message about why GPUs cannot be detected. |
Does not throw.
void releaseDevice | ( | DeviceInformation * | deviceInfo | ) |
Releases the GPU device used by the active context at the time of calling (CUDA only).
If deviceInfo
is nullptr, then it is understood that no device was selected so no context is active to be freed. Otherwise, the context is explicitly destroyed and therefore all data uploaded to the GPU is lost. This must only be called when none of this data is required anymore, because subsequent attempts to free memory associated with the context will otherwise fail.
Calls gmx_warning
upon errors.
[in] | deviceInfo | Information on the device to be released. |
void serializeDeviceInformations | ( | const std::vector< std::unique_ptr< DeviceInformation >> & | deviceInfoList, |
gmx::ISerializer * | serializer | ||
) |
Serialization of information on devices for MPI broadcasting.
[in] | deviceInfoList | The vector with device informations to serialize. |
[in] | serializer | Serializing object. |
void setActiveDevice | ( | const DeviceInformation & | deviceInfo | ) |
Set the active GPU.
This sets the device for which the device information is passed active. Essential in CUDA, where the device buffers and kernel launches are not connected to the device context. In OpenCL, checks the device vendor and makes vendor-specific performance adjustments.
[in] | deviceInfo | Information on the device to be set. |
Issues a fatal error for any critical errors that occur during initialization.
void warnWhenDeviceNotTargeted | ( | const gmx::MDLogger & | mdlog, |
const DeviceInformation & | deviceInfo | ||
) |
Warn to the logger when the detected device was not one of the targets selected at configure time for compilation.
[in] | mdlog | Logger |
[in] | deviceInfo | The device to potentially warn about |