Balance event consumption for GPU update code path

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

diff --git a/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp b/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp
index ae6bcd6c71eef3d217c1c46e46c79604d7078caf..99c456277b9108543579c0f5ba94b3146f5e36b2 100644 (file)
--- a/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp
+++ b/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, 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.
@@ -46,7 +46,7 @@
 
 #include "gromacs/mdtypes/state_propagator_data_gpu.h"
 
-#if GMX_GPU == GMX_GPU_NONE
+#if !GMX_GPU
 namespace gmx
 {
 
@@ -54,21 +54,18 @@ class StatePropagatorDataGpu::Impl
 {
 };
 
-StatePropagatorDataGpu::StatePropagatorDataGpu(const void* /* pmeStream       */,
-                                               const void* /* localStream     */,
-                                               const void* /* nonLocalStream  */,
-                                               const void* /* deviceContext   */,
+StatePropagatorDataGpu::StatePropagatorDataGpu(const DeviceStreamManager& /* deviceStreamManager */,
                                                GpuApiCallBehavior /* transferKind    */,
-                                               int /* paddingSize     */,
+                                               int /* allocationBlockSizeDivisor */,
                                                gmx_wallcycle* /*   wcycle */) :
     impl_(nullptr)
 {
 }
 
-StatePropagatorDataGpu::StatePropagatorDataGpu(const void* /* pmeStream       */,
-                                               const void* /* deviceContext   */,
+StatePropagatorDataGpu::StatePropagatorDataGpu(const DeviceStream* /* pmeStream       */,
+                                               const DeviceContext& /* deviceContext   */,
                                                GpuApiCallBehavior /* transferKind    */,
-                                               int /* paddingSize     */,
+                                               int /* allocationBlockSizeDivisor */,
                                                gmx_wallcycle* /*   wcycle */) :
     impl_(nullptr)
 {
@@ -82,33 +79,34 @@ StatePropagatorDataGpu::~StatePropagatorDataGpu() = default;
 
 void StatePropagatorDataGpu::reinit(int /* numAtomsLocal */, int /* numAtomsAll   */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
-std::tuple<int, int> StatePropagatorDataGpu::getAtomRangesFromAtomLocality(AtomLocality /* atomLocality */)
+std::tuple<int, int> StatePropagatorDataGpu::getAtomRangesFromAtomLocality(AtomLocality /* atomLocality */) const
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
     return std::make_tuple(0, 0);
 }
 
-DeviceBuffer<float> StatePropagatorDataGpu::getCoordinates()
+DeviceBuffer<RVec> StatePropagatorDataGpu::getCoordinates()
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
-    return DeviceBuffer<float>{};
+    return {};
 }
 
 GpuEventSynchronizer* StatePropagatorDataGpu::getCoordinatesReadyOnDeviceEvent(
         AtomLocality /* atomLocality */,
         const SimulationWorkload& /* simulationWork */,
-        const StepWorkload& /* stepWork       */)
+        const StepWorkload& /* stepWork       */,
+        GpuEventSynchronizer* /* gpuCoordinateHaloLaunched */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
     return nullptr;
@@ -116,111 +114,139 @@ GpuEventSynchronizer* StatePropagatorDataGpu::getCoordinatesReadyOnDeviceEvent(
 
 void StatePropagatorDataGpu::waitCoordinatesCopiedToDevice(AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
-GpuEventSynchronizer* StatePropagatorDataGpu::xUpdatedOnDevice()
+void StatePropagatorDataGpu::consumeCoordinatesCopiedToDeviceEvent(AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
-    return nullptr;
 }
 
-void StatePropagatorDataGpu::copyCoordinatesToGpu(const gmx::ArrayRef<const gmx::RVec> /* h_x */,
-                                                  AtomLocality /* atomLocality */)
+void StatePropagatorDataGpu::resetCoordinatesCopiedToDeviceEvent(AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
-void StatePropagatorDataGpu::waitCoordinatesReadyOnHost(AtomLocality /* atomLocality */)
+void StatePropagatorDataGpu::setXUpdatedOnDeviceEvent(GpuEventSynchronizer* /* xUpdatedOnDeviceEvent */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
-void StatePropagatorDataGpu::copyCoordinatesFromGpu(gmx::ArrayRef<gmx::RVec> /* h_x          */,
-                                                    AtomLocality /* atomLocality */)
+void StatePropagatorDataGpu::copyCoordinatesToGpu(const gmx::ArrayRef<const gmx::RVec> /* h_x */,
+                                                  AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
+void StatePropagatorDataGpu::waitCoordinatesReadyOnHost(AtomLocality /* atomLocality */)
+{
+    GMX_ASSERT(!impl_,
+               "A CPU stub method from GPU state propagator data was called instead of one from "
+               "GPU implementation.");
+}
 
-DeviceBuffer<float> StatePropagatorDataGpu::getVelocities()
+void StatePropagatorDataGpu::copyCoordinatesFromGpu(gmx::ArrayRef<gmx::RVec> /* h_x          */,
+                                                    AtomLocality /* atomLocality */,
+                                                    GpuEventSynchronizer* /*dependency */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
-    return DeviceBuffer<float>{};
 }
 
-void StatePropagatorDataGpu::copyVelocitiesToGpu(const gmx::ArrayRef<const gmx::RVec> /* h_v */,
-                                                 AtomLocality /* atomLocality */)
+DeviceBuffer<RVec> StatePropagatorDataGpu::getVelocities()
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
+    return {};
 }
 
-GpuEventSynchronizer* StatePropagatorDataGpu::getVelocitiesReadyOnDeviceEvent(AtomLocality /* atomLocality */)
+void StatePropagatorDataGpu::copyVelocitiesToGpu(const gmx::ArrayRef<const gmx::RVec> /* h_v */,
+                                                 AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
-    return nullptr;
 }
 
 void StatePropagatorDataGpu::copyVelocitiesFromGpu(gmx::ArrayRef<gmx::RVec> /* h_v          */,
                                                    AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
 void StatePropagatorDataGpu::waitVelocitiesReadyOnHost(AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
 
-DeviceBuffer<float> StatePropagatorDataGpu::getForces()
+DeviceBuffer<RVec> StatePropagatorDataGpu::getForces()
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
-    return DeviceBuffer<float>{};
+    return {};
 }
 
 void StatePropagatorDataGpu::copyForcesToGpu(const gmx::ArrayRef<const gmx::RVec> /* h_f          */,
                                              AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
-GpuEventSynchronizer* StatePropagatorDataGpu::getForcesReadyOnDeviceEvent(AtomLocality /* atomLocality */,
-                                                                          bool /* useGpuFBufferOps */)
+void StatePropagatorDataGpu::clearForcesOnGpu(AtomLocality /* atomLocality */,
+                                              GpuEventSynchronizer* /* dependency */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
+               "A CPU stub method from GPU state propagator data was called instead of one from "
+               "GPU implementation.");
+}
+
+GpuEventSynchronizer* StatePropagatorDataGpu::getLocalForcesReadyOnDeviceEvent(StepWorkload /* stepWork */,
+                                                                               SimulationWorkload /* simulationWork */)
+{
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
     return nullptr;
 }
 
-GpuEventSynchronizer* StatePropagatorDataGpu::fReducedOnDevice()
+GpuEventSynchronizer* StatePropagatorDataGpu::fReducedOnDevice(AtomLocality /*atomLocality*/)
+{
+    GMX_ASSERT(!impl_,
+               "A CPU stub method from GPU state propagator data was called instead of one from "
+               "GPU implementation.");
+    return nullptr;
+}
+
+void StatePropagatorDataGpu::consumeForcesReducedOnDeviceEvent(AtomLocality /*atomLocality*/)
+{
+    GMX_ASSERT(!impl_,
+               "A CPU stub method from GPU state propagator data was called instead of one from "
+               "GPU implementation.");
+}
+
+GpuEventSynchronizer* StatePropagatorDataGpu::fReadyOnDevice(AtomLocality /*atomLocality*/)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
     return nullptr;
@@ -229,38 +255,38 @@ GpuEventSynchronizer* StatePropagatorDataGpu::fReducedOnDevice()
 void StatePropagatorDataGpu::copyForcesFromGpu(gmx::ArrayRef<gmx::RVec> /* h_f          */,
                                                AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
 void StatePropagatorDataGpu::waitForcesReadyOnHost(AtomLocality /* atomLocality */)
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
 }
 
 
-void* StatePropagatorDataGpu::getUpdateStream()
+const DeviceStream* StatePropagatorDataGpu::getUpdateStream()
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
     return nullptr;
 }
 
-int StatePropagatorDataGpu::numAtomsLocal()
+int StatePropagatorDataGpu::numAtomsLocal() const
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
     return 0;
 }
 
-int StatePropagatorDataGpu::numAtomsAll()
+int StatePropagatorDataGpu::numAtomsAll() const
 {
-    GMX_ASSERT(false,
+    GMX_ASSERT(!impl_,
                "A CPU stub method from GPU state propagator data was called instead of one from "
                "GPU implementation.");
     return 0;
@@ -268,4 +294,4 @@ int StatePropagatorDataGpu::numAtomsAll()
 
 } // namespace gmx
 
-#endif // GMX_GPU == GMX_GPU_NONE
+#endif // !GMX_GPU