Fix random typos

[alexxy/gromacs.git] / src / gromacs / mdtypes / state_propagator_data_gpu_impl_gpu.cpp

diff --git a/src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp b/src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp
index e6db89f1a99512b6cf0592f68d7c5f95987c4a9e..c45ec35cc545e570579743940cd625fb040638a2 100644 (file)
--- a/src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp
+++ b/src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp
@@ -77,9 +77,7 @@ StatePropagatorDataGpu::Impl::Impl(const DeviceStreamManager& deviceStreamManage
     pmeStream_      = &deviceStreamManager.stream(DeviceStreamType::Pme);
     localStream_    = &deviceStreamManager.stream(DeviceStreamType::NonBondedLocal);
     nonLocalStream_ = &deviceStreamManager.stream(DeviceStreamType::NonBondedNonLocal);
-    // PME stream is used in OpenCL for H2D coordinate transfer
-    updateStream_ = &deviceStreamManager.stream(
-            GMX_GPU_OPENCL ? DeviceStreamType::Pme : DeviceStreamType::UpdateAndConstraints);
+    updateStream_   = &deviceStreamManager.stream(DeviceStreamType::UpdateAndConstraints);
 
     // Map the atom locality to the stream that will be used for coordinates,
     // velocities and forces transfers. Same streams are used for H2D and D2H copies.
@@ -120,6 +118,7 @@ StatePropagatorDataGpu::Impl::Impl(const DeviceStream*  pmeStream,
     nonLocalStream_ = nullptr;
     updateStream_   = nullptr;
 
+    isPmeOnly_ = true;
 
     // Only local/all coordinates are allowed to be copied in PME-only rank/ PME tests.
     // This it temporary measure to make it safe to use this class in those cases.
@@ -171,9 +170,10 @@ void StatePropagatorDataGpu::Impl::reinit(int numAtomsLocal, int numAtomsAll)
     reallocateDeviceBuffer(&d_f_, numAtomsAll_, &d_fSize_, &d_fCapacity_, deviceContext_);
 
     // Clearing of the forces can be done in local stream since the nonlocal stream cannot reach
-    // the force accumulation stage before syncing with the local stream. Only done in CUDA,
-    // since the force buffer ops are not implemented in OpenCL.
-    if (GMX_GPU_CUDA && d_fCapacity_ != d_fOldCapacity)
+    // the force accumulation stage before syncing with the local stream. Only done in CUDA and
+    // SYCL, since the force buffer ops are not implemented in OpenCL.
+    static constexpr bool sc_haveGpuFBufferOps = ((GMX_GPU_CUDA != 0) || (GMX_GPU_SYCL != 0));
+    if (sc_haveGpuFBufferOps && d_fCapacity_ != d_fOldCapacity)
     {
         clearDeviceBufferAsync(&d_f_, 0, d_fCapacity_, *localStream_);
     }
@@ -206,7 +206,7 @@ std::tuple<int, int> StatePropagatorDataGpu::Impl::getAtomRangesFromAtomLocality
                                "be All, Local or NonLocal.");
     }
     GMX_ASSERT(atomsStartAt >= 0,
-               "The first elemtnt to copy has negative index. Probably, the GPU propagator state "
+               "The first element to copy has negative index. Probably, the GPU propagator state "
                "was not initialized.");
     GMX_ASSERT(numAtomsToCopy >= 0,
                "Number of atoms to copy is negative. Probably, the GPU propagator state was not "
@@ -330,11 +330,8 @@ void StatePropagatorDataGpu::Impl::copyCoordinatesToGpu(const gmx::ArrayRef<cons
 
     copyToDevice(d_x_, h_x, d_xSize_, atomLocality, *deviceStream);
 
-    // markEvent is skipped in OpenCL as:
-    //   - it's not needed, copy is done in the same stream as the only consumer task (PME)
-    //   - we don't consume the events in OpenCL which is not allowed by GpuEventSynchronizer (would leak memory).
-    // TODO: remove this by adding an event-mark free flavor of this function
-    if (GMX_GPU_CUDA)
+    // marking is skipped on the PME-rank mode as everything is on the same stream
+    if (!isPmeOnly_)
     {
         xReadyOnDevice_[atomLocality].markEvent(*deviceStream);
     }
@@ -353,12 +350,7 @@ GpuEventSynchronizer* StatePropagatorDataGpu::Impl::getCoordinatesReadyOnDeviceE
     // and this is not a neighbor search step, then the consumer needs to wait for the update
     // to complete. Otherwise, the coordinates are copied from the host and we need to wait for
     // the copy event. Non-local coordinates are provided by the GPU halo exchange (if active), otherwise by H2D copy.
-    //
-    // In OpenCL no events are used as coordinate sync is not necessary
-    if (GMX_GPU_OPENCL)
-    {
-        return nullptr;
-    }
+
     if (atomLocality == AtomLocality::NonLocal && stepWork.useGpuXHalo)
     {
         GMX_ASSERT(gpuCoordinateHaloLaunched != nullptr,