Modernize PME GPU timing enums

Part of general modernization of enums to enum classes.
Used enumerationarray in places where it made sense.

diff --git a/src/gromacs/ewald/pme_gpu_internal.cpp b/src/gromacs/ewald/pme_gpu_internal.cpp
index d66865569ba1bc44de549472839482cd3cda7288..5f4a4fd28986214931ceb68c33acfe16989e0459 100644 (file)
--- a/src/gromacs/ewald/pme_gpu_internal.cpp
+++ b/src/gromacs/ewald/pme_gpu_internal.cpp
@@ -1016,23 +1016,23 @@ void pme_gpu_reinit_atoms(PmeGpu* pmeGpu, const int nAtoms, const real* chargesA
  * In CUDA result can be nullptr stub, per GpuRegionTimer implementation.
  *
  * \param[in] pmeGpu         The PME GPU data structure.
- * \param[in] PMEStageId     The PME GPU stage gtPME_ index from the enum in src/gromacs/timing/gpu_timing.h
+ * \param[in] pmeStageId     The PME GPU stage gtPME_ index from the enum in src/gromacs/timing/gpu_timing.h
  */
-static CommandEvent* pme_gpu_fetch_timing_event(const PmeGpu* pmeGpu, size_t PMEStageId)
+static CommandEvent* pme_gpu_fetch_timing_event(const PmeGpu* pmeGpu, PmeStage pmeStageId)
 {
     CommandEvent* timingEvent = nullptr;
     if (pme_gpu_timings_enabled(pmeGpu))
     {
-        GMX_ASSERT(PMEStageId < pmeGpu->archSpecific->timingEvents.size(),
-                   "Wrong PME GPU timing event index");
-        timingEvent = pmeGpu->archSpecific->timingEvents[PMEStageId].fetchNextEvent();
+        GMX_ASSERT(pmeStageId < PmeStage::Count, "Wrong PME GPU timing event index");
+        timingEvent = pmeGpu->archSpecific->timingEvents[pmeStageId].fetchNextEvent();
     }
     return timingEvent;
 }
 
 void pme_gpu_3dfft(const PmeGpu* pmeGpu, gmx_fft_direction dir, const int grid_index)
 {
-    int timerId = (dir == GMX_FFT_REAL_TO_COMPLEX) ? gtPME_FFT_R2C : gtPME_FFT_C2R;
+    PmeStage timerId = (dir == GMX_FFT_REAL_TO_COMPLEX) ? PmeStage::FftTransformR2C
+                                                        : PmeStage::FftTransformC2R;
 
     pme_gpu_start_timing(pmeGpu, timerId);
     pmeGpu->archSpecific->fftSetup[grid_index]->perform3dFft(
@@ -1313,13 +1313,13 @@ void pme_gpu_spread(const PmeGpu*         pmeGpu,
     config.gridSize[0]  = dimGrid.first;
     config.gridSize[1]  = dimGrid.second;
 
-    int                                timingId;
+    PmeStage                           timingId;
     PmeGpuProgramImpl::PmeKernelHandle kernelPtr = nullptr;
     if (computeSplines)
     {
         if (spreadCharges)
         {
-            timingId  = gtPME_SPLINEANDSPREAD;
+            timingId  = PmeStage::SplineAndSpread;
             kernelPtr = selectSplineAndSpreadKernelPtr(pmeGpu,
                                                        pmeGpu->settings.threadsPerAtom,
                                                        writeGlobal || (!recalculateSplines),
@@ -1327,7 +1327,7 @@ void pme_gpu_spread(const PmeGpu*         pmeGpu,
         }
         else
         {
-            timingId  = gtPME_SPLINE;
+            timingId  = PmeStage::Spline;
             kernelPtr = selectSplineKernelPtr(pmeGpu,
                                               pmeGpu->settings.threadsPerAtom,
                                               writeGlobal || (!recalculateSplines),
@@ -1336,7 +1336,7 @@ void pme_gpu_spread(const PmeGpu*         pmeGpu,
     }
     else
     {
-        timingId  = gtPME_SPREAD;
+        timingId  = PmeStage::Spread;
         kernelPtr = selectSpreadKernelPtr(pmeGpu,
                                           pmeGpu->settings.threadsPerAtom,
                                           writeGlobal || (!recalculateSplines),
@@ -1463,7 +1463,7 @@ void pme_gpu_solve(const PmeGpu* pmeGpu,
                          / gridLinesPerBlock;
     config.gridSize[2] = pmeGpu->kernelParams->grid.complexGridSize[majorDim];
 
-    int                                timingId  = gtPME_SOLVE;
+    PmeStage                           timingId  = PmeStage::Solve;
     PmeGpuProgramImpl::PmeKernelHandle kernelPtr = nullptr;
     if (gridOrdering == GridOrdering::YZX)
     {
@@ -1655,7 +1655,7 @@ void pme_gpu_gather(PmeGpu* pmeGpu, real** h_grids, const float lambda)
 
     // TODO test different cache configs
 
-    int                                timingId = gtPME_GATHER;
+    PmeStage                           timingId = PmeStage::Gather;
     PmeGpuProgramImpl::PmeKernelHandle kernelPtr =
             selectGatherKernelPtr(pmeGpu,
                                   pmeGpu->settings.threadsPerAtom,

diff --git a/src/gromacs/ewald/pme_gpu_timings.cpp b/src/gromacs/ewald/pme_gpu_timings.cpp
index 3a1f45746857d78d5a099b83507c38b47b8c08e7..205564b6a59f0c5c3db0361dd255c6713ce19e15 100644 (file)
--- a/src/gromacs/ewald/pme_gpu_timings.cpp
+++ b/src/gromacs/ewald/pme_gpu_timings.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2016,2017,2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017,2018,2019,2020,2021, 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.
@@ -55,23 +55,21 @@ bool pme_gpu_timings_enabled(const PmeGpu* pmeGpu)
     return pmeGpu->archSpecific->useTiming;
 }
 
-void pme_gpu_start_timing(const PmeGpu* pmeGpu, size_t PMEStageId)
+void pme_gpu_start_timing(const PmeGpu* pmeGpu, PmeStage pmeStageId)
 {
     if (pme_gpu_timings_enabled(pmeGpu))
     {
-        GMX_ASSERT(PMEStageId < pmeGpu->archSpecific->timingEvents.size(),
-                   "Wrong PME GPU timing event index");
-        pmeGpu->archSpecific->timingEvents[PMEStageId].openTimingRegion(pmeGpu->archSpecific->pmeStream_);
+        GMX_ASSERT(pmeStageId < PmeStage::Count, "Wrong PME GPU timing event index");
+        pmeGpu->archSpecific->timingEvents[pmeStageId].openTimingRegion(pmeGpu->archSpecific->pmeStream_);
     }
 }
 
-void pme_gpu_stop_timing(const PmeGpu* pmeGpu, size_t PMEStageId)
+void pme_gpu_stop_timing(const PmeGpu* pmeGpu, PmeStage pmeStageId)
 {
     if (pme_gpu_timings_enabled(pmeGpu))
     {
-        GMX_ASSERT(PMEStageId < pmeGpu->archSpecific->timingEvents.size(),
-                   "Wrong PME GPU timing event index");
-        pmeGpu->archSpecific->timingEvents[PMEStageId].closeTimingRegion(pmeGpu->archSpecific->pmeStream_);
+        GMX_ASSERT(pmeStageId < PmeStage::Count, "Wrong PME GPU timing event index");
+        pmeGpu->archSpecific->timingEvents[pmeStageId].closeTimingRegion(pmeGpu->archSpecific->pmeStream_);
     }
 }
 
@@ -80,10 +78,10 @@ void pme_gpu_get_timings(const PmeGpu* pmeGpu, gmx_wallclock_gpu_pme_t* timings)
     if (pme_gpu_timings_enabled(pmeGpu))
     {
         GMX_RELEASE_ASSERT(timings, "Null GPU timing pointer");
-        for (size_t i = 0; i < pmeGpu->archSpecific->timingEvents.size(); i++)
+        for (auto key : keysOf(timings->timing))
         {
-            timings->timing[i].t = pmeGpu->archSpecific->timingEvents[i].getTotalTime();
-            timings->timing[i].c = pmeGpu->archSpecific->timingEvents[i].getCallCount();
+            timings->timing[key].t = pmeGpu->archSpecific->timingEvents[key].getTotalTime();
+            timings->timing[key].c = pmeGpu->archSpecific->timingEvents[key].getCallCount();
         }
     }
 }
@@ -92,7 +90,7 @@ void pme_gpu_update_timings(const PmeGpu* pmeGpu)
 {
     if (pme_gpu_timings_enabled(pmeGpu))
     {
-        for (const size_t& activeTimer : pmeGpu->archSpecific->activeTimers)
+        for (const auto& activeTimer : pmeGpu->archSpecific->activeTimers)
         {
             pmeGpu->archSpecific->timingEvents[activeTimer].getLastRangeTime();
         }
@@ -104,21 +102,21 @@ void pme_gpu_reinit_timings(const PmeGpu* pmeGpu)
     if (pme_gpu_timings_enabled(pmeGpu))
     {
         pmeGpu->archSpecific->activeTimers.clear();
-        pmeGpu->archSpecific->activeTimers.insert(gtPME_SPLINEANDSPREAD);
+        pmeGpu->archSpecific->activeTimers.insert(PmeStage::SplineAndSpread);
         const auto& settings = pme_gpu_settings(pmeGpu);
         // TODO: no separate gtPME_SPLINE and gtPME_SPREAD as they are not used currently
         if (settings.performGPUFFT)
         {
-            pmeGpu->archSpecific->activeTimers.insert(gtPME_FFT_C2R);
-            pmeGpu->archSpecific->activeTimers.insert(gtPME_FFT_R2C);
+            pmeGpu->archSpecific->activeTimers.insert(PmeStage::FftTransformC2R);
+            pmeGpu->archSpecific->activeTimers.insert(PmeStage::FftTransformR2C);
         }
         if (settings.performGPUSolve)
         {
-            pmeGpu->archSpecific->activeTimers.insert(gtPME_SOLVE);
+            pmeGpu->archSpecific->activeTimers.insert(PmeStage::Solve);
         }
         if (settings.performGPUGather)
         {
-            pmeGpu->archSpecific->activeTimers.insert(gtPME_GATHER);
+            pmeGpu->archSpecific->activeTimers.insert(PmeStage::Gather);
         }
     }
 }
@@ -127,9 +125,9 @@ void pme_gpu_reset_timings(const PmeGpu* pmeGpu)
 {
     if (pme_gpu_timings_enabled(pmeGpu))
     {
-        for (size_t i = 0; i < pmeGpu->archSpecific->timingEvents.size(); i++)
+        for (auto key : keysOf(pmeGpu->archSpecific->timingEvents))
         {
-            pmeGpu->archSpecific->timingEvents[i].reset();
+            pmeGpu->archSpecific->timingEvents[key].reset();
         }
     }
 }

diff --git a/src/gromacs/ewald/pme_gpu_timings.h b/src/gromacs/ewald/pme_gpu_timings.h
index f7c222b6b2ec7a32e57c13f4fe05522d28cc85e3..d57452215e120cc9045a329682063a1ee4529772 100644 (file)
--- a/src/gromacs/ewald/pme_gpu_timings.h
+++ b/src/gromacs/ewald/pme_gpu_timings.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2016,2017,2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017,2018,2019,2020,2021, 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.
@@ -48,21 +48,23 @@
 struct gmx_wallclock_gpu_pme_t;
 struct PmeGpu;
 
+enum class PmeStage : int;
+
 /*! \libinternal \brief
  * Starts timing the certain PME GPU stage during a single computation (if timings are enabled).
  *
  * \param[in] pmeGpu         The PME GPU data structure.
- * \param[in] PMEStageId     The PME GPU stage gtPME_ index from the enum in src/gromacs/timing/gpu_timing.h
+ * \param[in] pmeStageId     The PME GPU stage gtPME_ index from the enum in src/gromacs/timing/gpu_timing.h
  */
-void pme_gpu_start_timing(const PmeGpu* pmeGpu, size_t PMEStageId);
+void pme_gpu_start_timing(const PmeGpu* pmeGpu, PmeStage pmeStageId);
 
 /*! \libinternal \brief
  * Stops timing the certain PME GPU stage during a single computation (if timings are enabled).
  *
  * \param[in] pmeGpu         The PME GPU data structure.
- * \param[in] PMEStageId     The PME GPU stage gtPME_ index from the enum in src/gromacs/timing/gpu_timing.h
+ * \param[in] pmeStageId     The PME GPU stage gtPME_ index from the enum in src/gromacs/timing/gpu_timing.h
  */
-void pme_gpu_stop_timing(const PmeGpu* pmeGpu, size_t PMEStageId);
+void pme_gpu_stop_timing(const PmeGpu* pmeGpu, PmeStage pmeStageId);
 
 /*! \brief
  * Tells if CUDA-based performance tracking is enabled for PME.

diff --git a/src/gromacs/ewald/pme_gpu_types_host_impl.h b/src/gromacs/ewald/pme_gpu_types_host_impl.h
index 976e064cb2aa610ef79613a78a232a6c191de1da..8204a9123f7ebe12c90e719dee55f6a52f30aab2 100644 (file)
--- a/src/gromacs/ewald/pme_gpu_types_host_impl.h
+++ b/src/gromacs/ewald/pme_gpu_types_host_impl.h
@@ -45,6 +45,7 @@
 #define PMEGPUTYPESHOSTIMPL_H
 
 #include "config.h"
+#include "gromacs/utility/enumerationhelpers.h"
 
 #include <array>
 #include <set>
@@ -119,10 +120,10 @@ struct PmeGpuSpecific
     std::vector<std::unique_ptr<GpuParallel3dFft>> fftSetup;
 
     //! All the timers one might use
-    std::array<GpuRegionTimer, gtPME_EVENT_COUNT> timingEvents;
+    gmx::EnumerationArray<PmeStage, GpuRegionTimer> timingEvents;
 
     //! Indices of timingEvents actually used
-    std::set<size_t> activeTimers;
+    std::set<PmeStage> activeTimers;
 
     /* GPU arrays element counts (not the arrays sizes in bytes!).
      * They might be larger than the actual meaningful data sizes.

diff --git a/src/gromacs/timing/gpu_timing.h b/src/gromacs/timing/gpu_timing.h
index bcefcac5ba39d7a4106fa1f7e96aa2848a5d43cb..24768bc59ac6ce73565f4528829eee4225278770 100644 (file)
--- a/src/gromacs/timing/gpu_timing.h
+++ b/src/gromacs/timing/gpu_timing.h
@@ -2,7 +2,7 @@
  * This file is part of the GROMACS molecular simulation package.
  *
  * Copyright (c) 2012,2014,2015,2016,2017 by the GROMACS development team.
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, 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.
@@ -44,6 +44,8 @@
 #ifndef GMX_TIMING_GPU_TIMING_H
 #define GMX_TIMING_GPU_TIMING_H
 
+#include "gromacs/utility/enumerationhelpers.h"
+
 /*! \internal \brief GPU kernel time and call count. */
 struct gmx_kernel_timing_data_t
 {
@@ -54,16 +56,16 @@ struct gmx_kernel_timing_data_t
 /*! \internal \brief
  * PME GPU stages timing events indices, corresponding to the string in PMEStageNames in wallcycle.cpp.
  */
-enum
+enum class PmeStage : int
 {
-    gtPME_SPLINE = 0,
-    gtPME_SPREAD,
-    gtPME_SPLINEANDSPREAD,
-    gtPME_FFT_R2C,
-    gtPME_SOLVE,
-    gtPME_FFT_C2R,
-    gtPME_GATHER,
-    gtPME_EVENT_COUNT /* not a stage ID but a static array size */
+    Spline = 0,
+    Spread,
+    SplineAndSpread,
+    FftTransformR2C,
+    Solve,
+    FftTransformC2R,
+    Gather,
+    Count /* not a stage ID but a static array size */
 };
 
 /*! \internal \brief GPU timings for PME. */
@@ -73,7 +75,7 @@ struct gmx_wallclock_gpu_pme_t
      * TODO: devise a better GPU timing data structuring.
      */
     /*! \brief Array of PME GPU timing data. */
-    gmx_kernel_timing_data_t timing[gtPME_EVENT_COUNT];
+    gmx::EnumerationArray<PmeStage, gmx_kernel_timing_data_t> timing;
 };
 
 /*! \internal \brief GPU NB timings for kernels and H2d/D2H transfers. */

diff --git a/src/gromacs/timing/wallcycle.cpp b/src/gromacs/timing/wallcycle.cpp
index 899c7ea7091a8eb43f99af15957c0f792e5c0328..22f0c45e4a84e0f94c0166393b56113fefc2b1eb 100644 (file)
--- a/src/gromacs/timing/wallcycle.cpp
+++ b/src/gromacs/timing/wallcycle.cpp
@@ -195,9 +195,13 @@ static const char* wcsn[ewcsNR] = {
 };
 
 /* PME GPU timing events' names - correspond to the enum in the gpu_timing.h */
-static const char* PMEStageNames[] = {
-    "PME spline", "PME spread",     "PME spline + spread", "PME 3D-FFT r2c",
-    "PME solve",  "PME 3D-FFT c2r", "PME gather",
+static const char* enumValuetoString(PmeStage enumValue)
+{
+    constexpr gmx::EnumerationArray<PmeStage, const char*> pmeStageNames = {
+        "PME spline", "PME spread",     "PME spline + spread", "PME 3D-FFT r2c",
+        "PME solve",  "PME 3D-FFT c2r", "PME gather"
+    };
+    return pmeStageNames[enumValue];
 };
 
 gmx_bool wallcycle_have_counter()
@@ -994,9 +998,9 @@ void wallcycle_print(FILE*                            fplog,
     double tot_gpu = 0.0;
     if (gpu_pme_t)
     {
-        for (size_t k = 0; k < gtPME_EVENT_COUNT; k++)
+        for (auto key : keysOf(gpu_pme_t->timing))
         {
-            tot_gpu += gpu_pme_t->timing[k].t;
+            tot_gpu += gpu_pme_t->timing[key].t;
         }
     }
     if (gpu_nbnxn_t)
@@ -1046,12 +1050,15 @@ void wallcycle_print(FILE*                            fplog,
         }
         if (gpu_pme_t)
         {
-            for (size_t k = 0; k < gtPME_EVENT_COUNT; k++)
+            for (auto key : keysOf(gpu_pme_t->timing))
             {
-                if (gpu_pme_t->timing[k].c)
+                if (gpu_pme_t->timing[key].c)
                 {
-                    print_gputimes(
-                            fplog, PMEStageNames[k], gpu_pme_t->timing[k].c, gpu_pme_t->timing[k].t, tot_gpu);
+                    print_gputimes(fplog,
+                                   enumValuetoString(key),
+                                   gpu_pme_t->timing[key].c,
+                                   gpu_pme_t->timing[key].t,
+                                   tot_gpu);
                 }
             }
         }