src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp

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  35 /*! \internal \file
  36  *
  37  * \brief Definitions of interfaces for GPU state data propagator object.
  38  *
  39  * \author Artem Zhmurov <zhmurov@gmail.com>
  40  *
  41  * \ingroup module_mdtypes
  42  */
  43 #include "gmxpre.h"
  44
  45 #include "config.h"
  46
  47 #if GMX_GPU != GMX_GPU_NONE
  48
  49 #    if GMX_GPU == GMX_GPU_CUDA
  50 #        include "gromacs/gpu_utils/cudautils.cuh"
  51 #    endif
  52 #    include "gromacs/gpu_utils/devicebuffer.h"
  53 #    if GMX_GPU == GMX_GPU_OPENCL
  54 #        include "gromacs/gpu_utils/oclutils.h"
  55 #    endif
  56 #    include "gromacs/math/vectypes.h"
  57 #    include "gromacs/mdtypes/state_propagator_data_gpu.h"
  58 #    include "gromacs/utility/classhelpers.h"
  59
  60 #    include "state_propagator_data_gpu_impl.h"
  61
  62 namespace gmx
  63 {
  64
  65 StatePropagatorDataGpu::Impl::Impl(const void*        pmeStream,
  66                                    const void*        localStream,
  67                                    const void*        nonLocalStream,
  68                                    const void*        deviceContext,
  69                                    GpuApiCallBehavior transferKind,
  70                                    int                paddingSize) :
  71     transferKind_(transferKind),
  72     paddingSize_(paddingSize)
  73 {
  74     static_assert(GMX_GPU != GMX_GPU_NONE,
  75                   "This object should only be constructed on the GPU code-paths.");
  76
  77     // TODO: Refactor when the StreamManager is introduced.
  78     if (GMX_GPU == GMX_GPU_OPENCL)
  79     {
  80         GMX_ASSERT(deviceContext != nullptr, "GPU context should be set in OpenCL builds.");
  81         GMX_ASSERT(pmeStream != nullptr, "GPU PME stream should be set in OpenCL builds.");
  82
  83         // The update stream is set to the PME stream in OpenCL, since PME stream is the only stream created in the PME context.
  84         pmeStream_     = *static_cast<const CommandStream*>(pmeStream);
  85         updateStream_  = *static_cast<const CommandStream*>(pmeStream);
  86         deviceContext_ = *static_cast<const DeviceContext*>(deviceContext);
  87         GMX_UNUSED_VALUE(localStream);
  88         GMX_UNUSED_VALUE(nonLocalStream);
  89     }
  90
  91     if (GMX_GPU == GMX_GPU_CUDA)
  92     {
  93         if (pmeStream != nullptr)
  94         {
  95             pmeStream_ = *static_cast<const CommandStream*>(pmeStream);
  96         }
  97         if (localStream != nullptr)
  98         {
  99             localStream_ = *static_cast<const CommandStream*>(localStream);
 100         }
 101         if (nonLocalStream != nullptr)
 102         {
 103             nonLocalStream_ = *static_cast<const CommandStream*>(nonLocalStream);
 104         }
 105
 106         // TODO: The update stream should be created only when it is needed.
 107 #    if (GMX_GPU == GMX_GPU_CUDA)
 108         cudaError_t stat;
 109         stat = cudaStreamCreate(&updateStream_);
 110         CU_RET_ERR(stat, "CUDA stream creation failed in StatePropagatorDataGpu");
 111 #    endif
 112         GMX_UNUSED_VALUE(deviceContext);
 113     }
 114
 115     // Map the atom locality to the stream that will be used for coordinates,
 116     // velocities and forces transfers. Same streams are used for H2D and D2H copies.
 117     // Note, that nullptr stream is used here to indicate that the copy is not supported.
 118     xCopyStreams_[AtomLocality::Local]    = updateStream_;
 119     xCopyStreams_[AtomLocality::NonLocal] = nonLocalStream_;
 120     xCopyStreams_[AtomLocality::All]      = updateStream_;
 121
 122     vCopyStreams_[AtomLocality::Local]    = updateStream_;
 123     vCopyStreams_[AtomLocality::NonLocal] = nullptr;
 124     vCopyStreams_[AtomLocality::All]      = updateStream_;
 125
 126     fCopyStreams_[AtomLocality::Local]    = localStream_;
 127     fCopyStreams_[AtomLocality::NonLocal] = nonLocalStream_;
 128     fCopyStreams_[AtomLocality::All]      = updateStream_;
 129 }
 130
 131 StatePropagatorDataGpu::Impl::Impl(const void*        pmeStream,
 132                                    const void*        deviceContext,
 133                                    GpuApiCallBehavior transferKind,
 134                                    int                paddingSize) :
 135     transferKind_(transferKind),
 136     paddingSize_(paddingSize)
 137 {
 138     static_assert(GMX_GPU != GMX_GPU_NONE,
 139                   "This object should only be constructed on the GPU code-paths.");
 140
 141     if (GMX_GPU == GMX_GPU_OPENCL)
 142     {
 143         GMX_ASSERT(deviceContext != nullptr, "GPU context should be set in OpenCL builds.");
 144         deviceContext_ = *static_cast<const DeviceContext*>(deviceContext);
 145     }
 146
 147     GMX_ASSERT(pmeStream != nullptr, "GPU PME stream should be set.");
 148     pmeStream_ = *static_cast<const CommandStream*>(pmeStream);
 149
 150     localStream_    = nullptr;
 151     nonLocalStream_ = nullptr;
 152     updateStream_   = nullptr;
 153
 154
 155     // Only local/all coordinates are allowed to be copied in PME-only rank/ PME tests.
 156     // This it temporary measure to make it safe to use this class in those cases.
 157     xCopyStreams_[AtomLocality::Local]    = pmeStream_;
 158     xCopyStreams_[AtomLocality::NonLocal] = nullptr;
 159     xCopyStreams_[AtomLocality::All]      = pmeStream_;
 160
 161     vCopyStreams_[AtomLocality::Local]    = nullptr;
 162     vCopyStreams_[AtomLocality::NonLocal] = nullptr;
 163     vCopyStreams_[AtomLocality::All]      = nullptr;
 164
 165     fCopyStreams_[AtomLocality::Local]    = nullptr;
 166     fCopyStreams_[AtomLocality::NonLocal] = nullptr;
 167     fCopyStreams_[AtomLocality::All]      = nullptr;
 168 }
 169
 170 StatePropagatorDataGpu::Impl::~Impl() {}
 171
 172 void StatePropagatorDataGpu::Impl::reinit(int numAtomsLocal, int numAtomsAll)
 173 {
 174     numAtomsLocal_ = numAtomsLocal;
 175     numAtomsAll_   = numAtomsAll;
 176
 177     int numAtomsPadded;
 178     if (paddingSize_ > 0)
 179     {
 180         numAtomsPadded = ((numAtomsAll_ + paddingSize_ - 1) / paddingSize_) * paddingSize_;
 181     }
 182     else
 183     {
 184         numAtomsPadded = numAtomsAll_;
 185     }
 186
 187     reallocateDeviceBuffer(&d_x_, DIM * numAtomsPadded, &d_xSize_, &d_xCapacity_, deviceContext_);
 188
 189     const size_t paddingAllocationSize = numAtomsPadded - numAtomsAll_;
 190     if (paddingAllocationSize > 0)
 191     {
 192         // The PME stream is used here because the padding region of d_x_ is only in the PME task.
 193         clearDeviceBufferAsync(&d_x_, DIM * numAtomsAll_, DIM * paddingAllocationSize, pmeStream_);
 194     }
 195
 196     reallocateDeviceBuffer(&d_v_, DIM * numAtomsAll_, &d_vSize_, &d_vCapacity_, deviceContext_);
 197     reallocateDeviceBuffer(&d_f_, DIM * numAtomsAll_, &d_fSize_, &d_fCapacity_, deviceContext_);
 198 }
 199
 200 std::tuple<int, int> StatePropagatorDataGpu::Impl::getAtomRangesFromAtomLocality(AtomLocality atomLocality)
 201 {
 202     int atomsStartAt   = 0;
 203     int numAtomsToCopy = 0;
 204     switch (atomLocality)
 205     {
 206         case AtomLocality::All:
 207             atomsStartAt   = 0;
 208             numAtomsToCopy = numAtomsAll_;
 209             break;
 210         case AtomLocality::Local:
 211             atomsStartAt   = 0;
 212             numAtomsToCopy = numAtomsLocal_;
 213             break;
 214         case AtomLocality::NonLocal:
 215             atomsStartAt   = numAtomsLocal_;
 216             numAtomsToCopy = numAtomsAll_ - numAtomsLocal_;
 217             break;
 218         default:
 219             GMX_RELEASE_ASSERT(false,
 220                                "Wrong range of atoms requested in GPU state data manager. Should "
 221                                "be All, Local or NonLocal.");
 222     }
 223     GMX_ASSERT(atomsStartAt >= 0,
 224                "The first elemtnt to copy has negative index. Probably, the GPU propagator state "
 225                "was not initialized.");
 226     GMX_ASSERT(numAtomsToCopy >= 0,
 227                "Number of atoms to copy is negative. Probably, the GPU propagator state was not "
 228                "initialized.");
 229     return std::make_tuple(atomsStartAt, numAtomsToCopy);
 230 }
 231
 232 void StatePropagatorDataGpu::Impl::copyToDevice(DeviceBuffer<float>                  d_data,
 233                                                 const gmx::ArrayRef<const gmx::RVec> h_data,
 234                                                 int                                  dataSize,
 235                                                 AtomLocality                         atomLocality,
 236                                                 CommandStream                        commandStream)
 237 {
 238
 239     GMX_UNUSED_VALUE(dataSize);
 240
 241     GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
 242
 243     GMX_ASSERT(dataSize >= 0, "Trying to copy to device buffer before it was allocated.");
 244
 245     GMX_ASSERT(commandStream != nullptr,
 246                "No stream is valid for copying with given atom locality.");
 247
 248     int atomsStartAt, numAtomsToCopy;
 249     std::tie(atomsStartAt, numAtomsToCopy) = getAtomRangesFromAtomLocality(atomLocality);
 250
 251     int elementsStartAt   = atomsStartAt * DIM;
 252     int numElementsToCopy = numAtomsToCopy * DIM;
 253
 254     if (numAtomsToCopy != 0)
 255     {
 256         GMX_ASSERT(elementsStartAt + numElementsToCopy <= dataSize,
 257                    "The device allocation is smaller than requested copy range.");
 258         GMX_ASSERT(atomsStartAt + numAtomsToCopy <= h_data.ssize(),
 259                    "The host buffer is smaller than the requested copy range.");
 260
 261         copyToDeviceBuffer(&d_data, reinterpret_cast<const float*>(&h_data.data()[atomsStartAt]),
 262                            elementsStartAt, numElementsToCopy, commandStream, transferKind_, nullptr);
 263     }
 264 }
 265
 266 void StatePropagatorDataGpu::Impl::copyFromDevice(gmx::ArrayRef<gmx::RVec> h_data,
 267                                                   DeviceBuffer<float>      d_data,
 268                                                   int                      dataSize,
 269                                                   AtomLocality             atomLocality,
 270                                                   CommandStream            commandStream)
 271 {
 272
 273     GMX_UNUSED_VALUE(dataSize);
 274
 275     GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
 276
 277     GMX_ASSERT(dataSize >= 0, "Trying to copy from device buffer before it was allocated.");
 278
 279     GMX_ASSERT(commandStream != nullptr,
 280                "No stream is valid for copying with given atom locality.");
 281
 282     int atomsStartAt, numAtomsToCopy;
 283     std::tie(atomsStartAt, numAtomsToCopy) = getAtomRangesFromAtomLocality(atomLocality);
 284
 285     int elementsStartAt   = atomsStartAt * DIM;
 286     int numElementsToCopy = numAtomsToCopy * DIM;
 287
 288     if (numAtomsToCopy != 0)
 289     {
 290         GMX_ASSERT(elementsStartAt + numElementsToCopy <= dataSize,
 291                    "The device allocation is smaller than requested copy range.");
 292         GMX_ASSERT(atomsStartAt + numAtomsToCopy <= h_data.ssize(),
 293                    "The host buffer is smaller than the requested copy range.");
 294
 295         copyFromDeviceBuffer(reinterpret_cast<float*>(&h_data.data()[atomsStartAt]), &d_data,
 296                              elementsStartAt, numElementsToCopy, commandStream, transferKind_, nullptr);
 297     }
 298 }
 299
 300 DeviceBuffer<float> StatePropagatorDataGpu::Impl::getCoordinates()
 301 {
 302     return d_x_;
 303 }
 304
 305 void StatePropagatorDataGpu::Impl::copyCoordinatesToGpu(const gmx::ArrayRef<const gmx::RVec> h_x,
 306                                                         AtomLocality atomLocality)
 307 {
 308     copyToDevice(d_x_, h_x, d_xSize_, atomLocality, xCopyStreams_[atomLocality]);
 309
 310     // markEvent is skipped in OpenCL as:
 311     //   - it's not needed, copy is done in the same stream as the only consumer task (PME)
 312     //   - we don't consume the events in OpenCL which is not allowed by GpuEventSynchronizer (would leak memory).
 313     // TODO: remove this by adding an event-mark free flavor of this function
 314     if (GMX_GPU == GMX_GPU_CUDA)
 315     {
 316         xReadyOnDevice_[atomLocality].markEvent(xCopyStreams_[atomLocality]);
 317     }
 318 }
 319
 320 GpuEventSynchronizer*
 321 StatePropagatorDataGpu::Impl::getCoordinatesReadyOnDeviceEvent(AtomLocality atomLocality,
 322                                                                const SimulationWorkload& simulationWork,
 323                                                                const StepWorkload&       stepWork)
 324 {
 325     // The provider of the coordinates may be different for local atoms. If the update is offloaded
 326     // and this is not a neighbor search step, then the consumer needs to wait for the update
 327     // to complete. Otherwise, the coordinates are copied from the host and we need to wait for
 328     // the copy event. Non-local coordinates are always provided by the H2D copy.
 329     //
 330     // TODO: This should be reconsidered to support the halo exchange.
 331     //
 332     // In OpenCL no events are used as coordinate sync is not necessary
 333     if (GMX_GPU == GMX_GPU_OPENCL)
 334     {
 335         return nullptr;
 336     }
 337     if (atomLocality == AtomLocality::Local && simulationWork.useGpuUpdate && !stepWork.doNeighborSearch)
 338     {
 339         return &xUpdatedOnDevice_;
 340     }
 341     else
 342     {
 343         return &xReadyOnDevice_[atomLocality];
 344     }
 345 }
 346
 347 void StatePropagatorDataGpu::Impl::waitCoordinatesCopiedToDevice(AtomLocality atomLocality)
 348 {
 349     GMX_ASSERT(atomLocality < AtomLocality::Count, "Wrong atom locality.");
 350     xReadyOnDevice_[atomLocality].waitForEvent();
 351 }
 352
 353 GpuEventSynchronizer* StatePropagatorDataGpu::Impl::xUpdatedOnDevice()
 354 {
 355     return &xUpdatedOnDevice_;
 356 }
 357
 358 void StatePropagatorDataGpu::Impl::copyCoordinatesFromGpu(gmx::ArrayRef<gmx::RVec> h_x, AtomLocality atomLocality)
 359 {
 360     copyFromDevice(h_x, d_x_, d_xSize_, atomLocality, xCopyStreams_[atomLocality]);
 361     // Note: unlike copyCoordinatesToGpu this is not used in OpenCL, and the conditional is not needed.
 362     xReadyOnHost_[atomLocality].markEvent(xCopyStreams_[atomLocality]);
 363 }
 364
 365 void StatePropagatorDataGpu::Impl::waitCoordinatesReadyOnHost(AtomLocality atomLocality)
 366 {
 367     xReadyOnHost_[atomLocality].waitForEvent();
 368 }
 369
 370
 371 DeviceBuffer<float> StatePropagatorDataGpu::Impl::getVelocities()
 372 {
 373     return d_v_;
 374 }
 375
 376 void StatePropagatorDataGpu::Impl::copyVelocitiesToGpu(const gmx::ArrayRef<const gmx::RVec> h_v,
 377                                                        AtomLocality atomLocality)
 378 {
 379     copyToDevice(d_v_, h_v, d_vSize_, atomLocality, vCopyStreams_[atomLocality]);
 380     vReadyOnDevice_[atomLocality].markEvent(vCopyStreams_[atomLocality]);
 381 }
 382
 383 GpuEventSynchronizer* StatePropagatorDataGpu::Impl::getVelocitiesReadyOnDeviceEvent(AtomLocality atomLocality)
 384 {
 385     return &vReadyOnDevice_[atomLocality];
 386 }
 387
 388
 389 void StatePropagatorDataGpu::Impl::copyVelocitiesFromGpu(gmx::ArrayRef<gmx::RVec> h_v, AtomLocality atomLocality)
 390 {
 391     copyFromDevice(h_v, d_v_, d_vSize_, atomLocality, vCopyStreams_[atomLocality]);
 392     vReadyOnHost_[atomLocality].markEvent(vCopyStreams_[atomLocality]);
 393 }
 394
 395 void StatePropagatorDataGpu::Impl::waitVelocitiesReadyOnHost(AtomLocality atomLocality)
 396 {
 397     vReadyOnHost_[atomLocality].waitForEvent();
 398 }
 399
 400
 401 DeviceBuffer<float> StatePropagatorDataGpu::Impl::getForces()
 402 {
 403     return d_f_;
 404 }
 405
 406 void StatePropagatorDataGpu::Impl::copyForcesToGpu(const gmx::ArrayRef<const gmx::RVec> h_f,
 407                                                    AtomLocality atomLocality)
 408 {
 409     copyToDevice(d_f_, h_f, d_fSize_, atomLocality, fCopyStreams_[atomLocality]);
 410     fReadyOnDevice_[atomLocality].markEvent(fCopyStreams_[atomLocality]);
 411 }
 412
 413 GpuEventSynchronizer* StatePropagatorDataGpu::Impl::getForcesReadyOnDeviceEvent(AtomLocality atomLocality,
 414                                                                                 bool useGpuFBufferOps)
 415 {
 416     if ((atomLocality == AtomLocality::Local || atomLocality == AtomLocality::NonLocal) && useGpuFBufferOps)
 417     {
 418         return &fReducedOnDevice_;
 419     }
 420     else
 421     {
 422         return &fReadyOnDevice_[atomLocality];
 423     }
 424 }
 425
 426 GpuEventSynchronizer* StatePropagatorDataGpu::Impl::fReducedOnDevice()
 427 {
 428     return &fReducedOnDevice_;
 429 }
 430
 431 void StatePropagatorDataGpu::Impl::copyForcesFromGpu(gmx::ArrayRef<gmx::RVec> h_f, AtomLocality atomLocality)
 432 {
 433     copyFromDevice(h_f, d_f_, d_fSize_, atomLocality, fCopyStreams_[atomLocality]);
 434     fReadyOnHost_[atomLocality].markEvent(fCopyStreams_[atomLocality]);
 435 }
 436
 437 void StatePropagatorDataGpu::Impl::waitForcesReadyOnHost(AtomLocality atomLocality)
 438 {
 439     fReadyOnHost_[atomLocality].waitForEvent();
 440 }
 441
 442 void* StatePropagatorDataGpu::Impl::getUpdateStream()
 443 {
 444     return &updateStream_;
 445 }
 446
 447 int StatePropagatorDataGpu::Impl::numAtomsLocal()
 448 {
 449     return numAtomsLocal_;
 450 }
 451
 452 int StatePropagatorDataGpu::Impl::numAtomsAll()
 453 {
 454     return numAtomsAll_;
 455 }
 456
 457
 458 StatePropagatorDataGpu::StatePropagatorDataGpu(const void*        pmeStream,
 459                                                const void*        localStream,
 460                                                const void*        nonLocalStream,
 461                                                const void*        deviceContext,
 462                                                GpuApiCallBehavior transferKind,
 463                                                int                paddingSize) :
 464     impl_(new Impl(pmeStream, localStream, nonLocalStream, deviceContext, transferKind, paddingSize))
 465 {
 466 }
 467
 468 StatePropagatorDataGpu::StatePropagatorDataGpu(const void*        pmeStream,
 469                                                const void*        deviceContext,
 470                                                GpuApiCallBehavior transferKind,
 471                                                int                paddingSize) :
 472     impl_(new Impl(pmeStream, deviceContext, transferKind, paddingSize))
 473 {
 474 }
 475
 476 StatePropagatorDataGpu::StatePropagatorDataGpu(StatePropagatorDataGpu&& /* other */) noexcept = default;
 477
 478 StatePropagatorDataGpu& StatePropagatorDataGpu::operator=(StatePropagatorDataGpu&& /* other */) noexcept = default;
 479
 480 StatePropagatorDataGpu::~StatePropagatorDataGpu() = default;
 481
 482
 483 void StatePropagatorDataGpu::reinit(int numAtomsLocal, int numAtomsAll)
 484 {
 485     return impl_->reinit(numAtomsLocal, numAtomsAll);
 486 }
 487
 488 std::tuple<int, int> StatePropagatorDataGpu::getAtomRangesFromAtomLocality(AtomLocality atomLocality)
 489 {
 490     return impl_->getAtomRangesFromAtomLocality(atomLocality);
 491 }
 492
 493
 494 DeviceBuffer<float> StatePropagatorDataGpu::getCoordinates()
 495 {
 496     return impl_->getCoordinates();
 497 }
 498
 499 void StatePropagatorDataGpu::copyCoordinatesToGpu(const gmx::ArrayRef<const gmx::RVec> h_x,
 500                                                   AtomLocality                         atomLocality)
 501 {
 502     return impl_->copyCoordinatesToGpu(h_x, atomLocality);
 503 }
 504
 505 GpuEventSynchronizer*
 506 StatePropagatorDataGpu::getCoordinatesReadyOnDeviceEvent(AtomLocality              atomLocality,
 507                                                          const SimulationWorkload& simulationWork,
 508                                                          const StepWorkload&       stepWork)
 509 {
 510     return impl_->getCoordinatesReadyOnDeviceEvent(atomLocality, simulationWork, stepWork);
 511 }
 512
 513 void StatePropagatorDataGpu::waitCoordinatesCopiedToDevice(AtomLocality atomLocality)
 514 {
 515     return impl_->waitCoordinatesCopiedToDevice(atomLocality);
 516 }
 517
 518 GpuEventSynchronizer* StatePropagatorDataGpu::xUpdatedOnDevice()
 519 {
 520     return impl_->xUpdatedOnDevice();
 521 }
 522
 523 void StatePropagatorDataGpu::copyCoordinatesFromGpu(gmx::ArrayRef<RVec> h_x, AtomLocality atomLocality)
 524 {
 525     return impl_->copyCoordinatesFromGpu(h_x, atomLocality);
 526 }
 527
 528 void StatePropagatorDataGpu::waitCoordinatesReadyOnHost(AtomLocality atomLocality)
 529 {
 530     return impl_->waitCoordinatesReadyOnHost(atomLocality);
 531 }
 532
 533
 534 DeviceBuffer<float> StatePropagatorDataGpu::getVelocities()
 535 {
 536     return impl_->getVelocities();
 537 }
 538
 539 void StatePropagatorDataGpu::copyVelocitiesToGpu(const gmx::ArrayRef<const gmx::RVec> h_v,
 540                                                  AtomLocality                         atomLocality)
 541 {
 542     return impl_->copyVelocitiesToGpu(h_v, atomLocality);
 543 }
 544
 545 GpuEventSynchronizer* StatePropagatorDataGpu::getVelocitiesReadyOnDeviceEvent(AtomLocality atomLocality)
 546 {
 547     return impl_->getVelocitiesReadyOnDeviceEvent(atomLocality);
 548 }
 549
 550 void StatePropagatorDataGpu::copyVelocitiesFromGpu(gmx::ArrayRef<RVec> h_v, AtomLocality atomLocality)
 551 {
 552     return impl_->copyVelocitiesFromGpu(h_v, atomLocality);
 553 }
 554
 555 void StatePropagatorDataGpu::waitVelocitiesReadyOnHost(AtomLocality atomLocality)
 556 {
 557     return impl_->waitVelocitiesReadyOnHost(atomLocality);
 558 }
 559
 560
 561 DeviceBuffer<float> StatePropagatorDataGpu::getForces()
 562 {
 563     return impl_->getForces();
 564 }
 565
 566 void StatePropagatorDataGpu::copyForcesToGpu(const gmx::ArrayRef<const gmx::RVec> h_f, AtomLocality atomLocality)
 567 {
 568     return impl_->copyForcesToGpu(h_f, atomLocality);
 569 }
 570
 571 GpuEventSynchronizer* StatePropagatorDataGpu::getForcesReadyOnDeviceEvent(AtomLocality atomLocality,
 572                                                                           bool useGpuFBufferOps)
 573 {
 574     return impl_->getForcesReadyOnDeviceEvent(atomLocality, useGpuFBufferOps);
 575 }
 576
 577 GpuEventSynchronizer* StatePropagatorDataGpu::fReducedOnDevice()
 578 {
 579     return impl_->fReducedOnDevice();
 580 }
 581
 582 void StatePropagatorDataGpu::copyForcesFromGpu(gmx::ArrayRef<RVec> h_f, AtomLocality atomLocality)
 583 {
 584     return impl_->copyForcesFromGpu(h_f, atomLocality);
 585 }
 586
 587 void StatePropagatorDataGpu::waitForcesReadyOnHost(AtomLocality atomLocality)
 588 {
 589     return impl_->waitForcesReadyOnHost(atomLocality);
 590 }
 591
 592
 593 void* StatePropagatorDataGpu::getUpdateStream()
 594 {
 595     return impl_->getUpdateStream();
 596 }
 597
 598 int StatePropagatorDataGpu::numAtomsLocal()
 599 {
 600     return impl_->numAtomsLocal();
 601 }
 602
 603 int StatePropagatorDataGpu::numAtomsAll()
 604 {
 605     return impl_->numAtomsAll();
 606 }
 607
 608 } // namespace gmx
 609
 610 #endif // GMX_GPU == GMX_GPU_NONE