/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2019, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
# endif
# include "gromacs/math/vectypes.h"
# include "gromacs/mdtypes/state_propagator_data_gpu.h"
+# include "gromacs/timing/wallcycle.h"
# include "gromacs/utility/classhelpers.h"
# include "state_propagator_data_gpu_impl.h"
+
namespace gmx
{
const void* nonLocalStream,
const void* deviceContext,
GpuApiCallBehavior transferKind,
- int paddingSize) :
+ int paddingSize,
+ gmx_wallcycle* wcycle) :
transferKind_(transferKind),
- paddingSize_(paddingSize)
+ paddingSize_(paddingSize),
+ wcycle_(wcycle)
{
static_assert(GMX_GPU != GMX_GPU_NONE,
"This object should only be constructed on the GPU code-paths.");
StatePropagatorDataGpu::Impl::Impl(const void* pmeStream,
const void* deviceContext,
GpuApiCallBehavior transferKind,
- int paddingSize) :
+ int paddingSize,
+ gmx_wallcycle* wcycle) :
transferKind_(transferKind),
- paddingSize_(paddingSize)
+ paddingSize_(paddingSize),
+ wcycle_(wcycle)
{
static_assert(GMX_GPU != GMX_GPU_NONE,
"This object should only be constructed on the GPU code-paths.");
void StatePropagatorDataGpu::Impl::reinit(int numAtomsLocal, int numAtomsAll)
{
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start_nocount(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+
numAtomsLocal_ = numAtomsLocal;
numAtomsAll_ = numAtomsAll;
{
clearDeviceBufferAsync(&d_f_, 0, d_fCapacity_, localStream_);
}
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
std::tuple<int, int> StatePropagatorDataGpu::Impl::getAtomRangesFromAtomLocality(AtomLocality atomLocality)
AtomLocality atomLocality,
CommandStream commandStream)
{
-
GMX_UNUSED_VALUE(dataSize);
GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
GMX_ASSERT(commandStream != nullptr,
"No stream is valid for copying with given atom locality.");
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
int atomsStartAt, numAtomsToCopy;
std::tie(atomsStartAt, numAtomsToCopy) = getAtomRangesFromAtomLocality(atomLocality);
copyToDeviceBuffer(&d_data, reinterpret_cast<const float*>(&h_data.data()[atomsStartAt]),
elementsStartAt, numElementsToCopy, commandStream, transferKind_, nullptr);
}
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
void StatePropagatorDataGpu::Impl::copyFromDevice(gmx::ArrayRef<gmx::RVec> h_data,
AtomLocality atomLocality,
CommandStream commandStream)
{
-
GMX_UNUSED_VALUE(dataSize);
GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
GMX_ASSERT(commandStream != nullptr,
"No stream is valid for copying with given atom locality.");
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
int atomsStartAt, numAtomsToCopy;
std::tie(atomsStartAt, numAtomsToCopy) = getAtomRangesFromAtomLocality(atomLocality);
copyFromDeviceBuffer(reinterpret_cast<float*>(&h_data.data()[atomsStartAt]), &d_data,
elementsStartAt, numElementsToCopy, commandStream, transferKind_, nullptr);
}
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
DeviceBuffer<float> StatePropagatorDataGpu::Impl::getCoordinates()
void StatePropagatorDataGpu::Impl::copyCoordinatesToGpu(const gmx::ArrayRef<const gmx::RVec> h_x,
AtomLocality atomLocality)
{
- copyToDevice(d_x_, h_x, d_xSize_, atomLocality, xCopyStreams_[atomLocality]);
+ GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
+ CommandStream commandStream = xCopyStreams_[atomLocality];
+ GMX_ASSERT(commandStream != nullptr,
+ "No stream is valid for copying positions with given atom locality.");
+
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+
+ copyToDevice(d_x_, h_x, d_xSize_, atomLocality, commandStream);
// markEvent is skipped in OpenCL as:
// - it's not needed, copy is done in the same stream as the only consumer task (PME)
{
xReadyOnDevice_[atomLocality].markEvent(xCopyStreams_[atomLocality]);
}
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
GpuEventSynchronizer*
void StatePropagatorDataGpu::Impl::waitCoordinatesCopiedToDevice(AtomLocality atomLocality)
{
+ wallcycle_start(wcycle_, ewcWAIT_GPU_STATE_PROPAGATOR_DATA);
GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
xReadyOnDevice_[atomLocality].waitForEvent();
+ wallcycle_stop(wcycle_, ewcWAIT_GPU_STATE_PROPAGATOR_DATA);
}
GpuEventSynchronizer* StatePropagatorDataGpu::Impl::xUpdatedOnDevice()
void StatePropagatorDataGpu::Impl::copyCoordinatesFromGpu(gmx::ArrayRef<gmx::RVec> h_x, AtomLocality atomLocality)
{
- copyFromDevice(h_x, d_x_, d_xSize_, atomLocality, xCopyStreams_[atomLocality]);
+ GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
+ CommandStream commandStream = xCopyStreams_[atomLocality];
+ GMX_ASSERT(commandStream != nullptr,
+ "No stream is valid for copying positions with given atom locality.");
+
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+
+ copyFromDevice(h_x, d_x_, d_xSize_, atomLocality, commandStream);
// Note: unlike copyCoordinatesToGpu this is not used in OpenCL, and the conditional is not needed.
- xReadyOnHost_[atomLocality].markEvent(xCopyStreams_[atomLocality]);
+ xReadyOnHost_[atomLocality].markEvent(commandStream);
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
void StatePropagatorDataGpu::Impl::waitCoordinatesReadyOnHost(AtomLocality atomLocality)
{
+ wallcycle_start(wcycle_, ewcWAIT_GPU_STATE_PROPAGATOR_DATA);
xReadyOnHost_[atomLocality].waitForEvent();
+ wallcycle_stop(wcycle_, ewcWAIT_GPU_STATE_PROPAGATOR_DATA);
}
void StatePropagatorDataGpu::Impl::copyVelocitiesToGpu(const gmx::ArrayRef<const gmx::RVec> h_v,
AtomLocality atomLocality)
{
- copyToDevice(d_v_, h_v, d_vSize_, atomLocality, vCopyStreams_[atomLocality]);
- vReadyOnDevice_[atomLocality].markEvent(vCopyStreams_[atomLocality]);
+ GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
+ CommandStream commandStream = vCopyStreams_[atomLocality];
+ GMX_ASSERT(commandStream != nullptr,
+ "No stream is valid for copying velocities with given atom locality.");
+
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+
+ copyToDevice(d_v_, h_v, d_vSize_, atomLocality, commandStream);
+ vReadyOnDevice_[atomLocality].markEvent(commandStream);
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
GpuEventSynchronizer* StatePropagatorDataGpu::Impl::getVelocitiesReadyOnDeviceEvent(AtomLocality atomLocality)
void StatePropagatorDataGpu::Impl::copyVelocitiesFromGpu(gmx::ArrayRef<gmx::RVec> h_v, AtomLocality atomLocality)
{
- copyFromDevice(h_v, d_v_, d_vSize_, atomLocality, vCopyStreams_[atomLocality]);
- vReadyOnHost_[atomLocality].markEvent(vCopyStreams_[atomLocality]);
+ GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
+ CommandStream commandStream = vCopyStreams_[atomLocality];
+ GMX_ASSERT(commandStream != nullptr,
+ "No stream is valid for copying velocities with given atom locality.");
+
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+
+ copyFromDevice(h_v, d_v_, d_vSize_, atomLocality, commandStream);
+ vReadyOnHost_[atomLocality].markEvent(commandStream);
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
void StatePropagatorDataGpu::Impl::waitVelocitiesReadyOnHost(AtomLocality atomLocality)
{
+ wallcycle_start(wcycle_, ewcWAIT_GPU_STATE_PROPAGATOR_DATA);
vReadyOnHost_[atomLocality].waitForEvent();
+ wallcycle_stop(wcycle_, ewcWAIT_GPU_STATE_PROPAGATOR_DATA);
}
void StatePropagatorDataGpu::Impl::copyForcesToGpu(const gmx::ArrayRef<const gmx::RVec> h_f,
AtomLocality atomLocality)
{
- copyToDevice(d_f_, h_f, d_fSize_, atomLocality, fCopyStreams_[atomLocality]);
- fReadyOnDevice_[atomLocality].markEvent(fCopyStreams_[atomLocality]);
+ GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
+ CommandStream commandStream = fCopyStreams_[atomLocality];
+ GMX_ASSERT(commandStream != nullptr,
+ "No stream is valid for copying forces with given atom locality.");
+
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+
+ copyToDevice(d_f_, h_f, d_fSize_, atomLocality, commandStream);
+ fReadyOnDevice_[atomLocality].markEvent(commandStream);
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
GpuEventSynchronizer* StatePropagatorDataGpu::Impl::getForcesReadyOnDeviceEvent(AtomLocality atomLocality,
void StatePropagatorDataGpu::Impl::copyForcesFromGpu(gmx::ArrayRef<gmx::RVec> h_f, AtomLocality atomLocality)
{
- copyFromDevice(h_f, d_f_, d_fSize_, atomLocality, fCopyStreams_[atomLocality]);
- fReadyOnHost_[atomLocality].markEvent(fCopyStreams_[atomLocality]);
+ GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
+ CommandStream commandStream = fCopyStreams_[atomLocality];
+ GMX_ASSERT(commandStream != nullptr,
+ "No stream is valid for copying forces with given atom locality.");
+
+ wallcycle_start_nocount(wcycle_, ewcLAUNCH_GPU);
+ wallcycle_sub_start(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+
+ copyFromDevice(h_f, d_f_, d_fSize_, atomLocality, commandStream);
+ fReadyOnHost_[atomLocality].markEvent(commandStream);
+
+ wallcycle_sub_stop(wcycle_, ewcsLAUNCH_STATE_PROPAGATOR_DATA);
+ wallcycle_stop(wcycle_, ewcLAUNCH_GPU);
}
void StatePropagatorDataGpu::Impl::waitForcesReadyOnHost(AtomLocality atomLocality)
{
+ wallcycle_start(wcycle_, ewcWAIT_GPU_STATE_PROPAGATOR_DATA);
fReadyOnHost_[atomLocality].waitForEvent();
+ wallcycle_stop(wcycle_, ewcWAIT_GPU_STATE_PROPAGATOR_DATA);
}
void* StatePropagatorDataGpu::Impl::getUpdateStream()
const void* nonLocalStream,
const void* deviceContext,
GpuApiCallBehavior transferKind,
- int paddingSize) :
- impl_(new Impl(pmeStream, localStream, nonLocalStream, deviceContext, transferKind, paddingSize))
+ int paddingSize,
+ gmx_wallcycle* wcycle) :
+ impl_(new Impl(pmeStream, localStream, nonLocalStream, deviceContext, transferKind, paddingSize, wcycle))
{
}
StatePropagatorDataGpu::StatePropagatorDataGpu(const void* pmeStream,
const void* deviceContext,
GpuApiCallBehavior transferKind,
- int paddingSize) :
- impl_(new Impl(pmeStream, deviceContext, transferKind, paddingSize))
+ int paddingSize,
+ gmx_wallcycle* wcycle) :
+ impl_(new Impl(pmeStream, deviceContext, transferKind, paddingSize, wcycle))
{
}
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