src/gromacs/domdec/dlbtiming.cpp

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  35
  36 #include "gmxpre.h"
  37
  38 #include "dlbtiming.h"
  39
  40 #include <cstring>
  41
  42 #include "gromacs/domdec/domdec.h"
  43 #include "gromacs/gmxlib/nrnb.h"
  44 #include "gromacs/utility/gmxassert.h"
  45
  46 #include "domdec_internal.h"
  47
  48 /*! \brief Struct for timing the region for dynamic load balancing */
  49 struct BalanceRegion
  50 {
  51     /*! \brief Constructor */
  52     BalanceRegion() :
  53         isOpen(false),
  54         isOpenOnCpu(false),
  55         isOpenOnGpu(false),
  56         cyclesOpenCpu(0),
  57         cyclesLastCpu(0)
  58     {
  59     }
  60
  61     bool         isOpen;         /**< Are we in an open balancing region? */
  62     bool         isOpenOnCpu;    /**< Is the, currently open, region still open on the CPU side? */
  63     bool         isOpenOnGpu;    /**< Is the, currently open, region open on the GPU side? */
  64     gmx_cycles_t cyclesOpenCpu;  /**< Cycle count when opening the CPU region */
  65     gmx_cycles_t cyclesLastCpu;  /**< Cycle count at the last call to \p ddCloseBalanceRegionCpu() */
  66 };
  67
  68 BalanceRegion *ddBalanceRegionAllocate()
  69 {
  70     return new BalanceRegion;
  71 }
  72
  73 /*! \brief Returns the pointer to the balance region.
  74  *
  75  * This should be replaced by a properly managed BalanceRegion class,
  76  * but that requires a lot of refactoring in domdec.cpp.
  77  */
  78 static BalanceRegion *getBalanceRegion(const gmx_domdec_t *dd)
  79 {
  80     GMX_ASSERT(dd != nullptr && dd->comm != nullptr, "Balance regions should only be used with DD");
  81     BalanceRegion *region = dd->comm->balanceRegion;
  82     GMX_ASSERT(region != nullptr, "Balance region should be initialized before use");
  83     return region;
  84 }
  85
  86 void DDBalanceRegionHandler::openRegionCpuImpl(DdAllowBalanceRegionReopen gmx_unused allowReopen) const
  87 {
  88     BalanceRegion *reg = getBalanceRegion(dd_);
  89     if (dd_->comm->bRecordLoad)
  90     {
  91         GMX_ASSERT(allowReopen == DdAllowBalanceRegionReopen::yes || !reg->isOpen, "Should not open an already opened region");
  92
  93         reg->cyclesOpenCpu = gmx_cycles_read();
  94         reg->isOpen        = true;
  95         reg->isOpenOnCpu   = true;
  96         reg->isOpenOnGpu   = false;
  97     }
  98 }
  99
 100 void DDBalanceRegionHandler::openRegionGpuImpl() const
 101 {
 102     BalanceRegion *reg = getBalanceRegion(dd_);
 103     GMX_ASSERT(reg->isOpen, "Can only open a GPU region inside an open CPU region");
 104     GMX_ASSERT(!reg->isOpenOnGpu, "Can not re-open a GPU balance region");
 105     reg->isOpenOnGpu = true;
 106 }
 107
 108 void ddReopenBalanceRegionCpu(const gmx_domdec_t *dd)
 109 {
 110     BalanceRegion *reg = getBalanceRegion(dd);
 111     /* If the GPU is busy, don't reopen as we are overlapping with work */
 112     if (reg->isOpen && !reg->isOpenOnGpu)
 113     {
 114         reg->cyclesOpenCpu = gmx_cycles_read();
 115     }
 116 }
 117
 118 void DDBalanceRegionHandler::closeRegionCpuImpl() const
 119 {
 120     BalanceRegion *reg = getBalanceRegion(dd_);
 121     if (reg->isOpen && reg->isOpenOnCpu)
 122     {
 123         GMX_ASSERT(reg->isOpenOnCpu, "Can only close an open region");
 124         gmx_cycles_t cycles = gmx_cycles_read();
 125         reg->isOpenOnCpu    = false;
 126
 127         if (reg->isOpenOnGpu)
 128         {
 129             /* Store the cycles for estimating the GPU/CPU overlap time */
 130             reg->cyclesLastCpu = cycles;
 131         }
 132         else
 133         {
 134             /* We can close the region */
 135             float cyclesCpu   = cycles - reg->cyclesOpenCpu;
 136             dd_cycles_add(dd_, cyclesCpu, ddCyclF);
 137             reg->isOpen       = false;
 138         }
 139     }
 140 }
 141
 142 void DDBalanceRegionHandler::closeRegionGpuImpl(float                       waitGpuCyclesInCpuRegion,
 143                                                 DdBalanceRegionWaitedForGpu waitedForGpu) const
 144 {
 145     BalanceRegion *reg = getBalanceRegion(dd_);
 146     if (reg->isOpen)
 147     {
 148         GMX_ASSERT(reg->isOpenOnGpu, "Can not close a non-open GPU balance region");
 149         GMX_ASSERT(!reg->isOpenOnCpu, "The GPU region should be closed after closing the CPU region");
 150
 151         float waitGpuCyclesEstimate = gmx_cycles_read() - reg->cyclesLastCpu;
 152         if (waitedForGpu == DdBalanceRegionWaitedForGpu::no)
 153         {
 154             /* The actual time could be anywhere between 0 and
 155              * waitCyclesEstimate. Using half is the best we can do.
 156              */
 157             const float unknownWaitEstimateFactor = 0.5F;
 158             waitGpuCyclesEstimate *= unknownWaitEstimateFactor;
 159         }
 160
 161         float cyclesCpu = reg->cyclesLastCpu - reg->cyclesOpenCpu;
 162         dd_cycles_add(dd_, cyclesCpu + waitGpuCyclesEstimate, ddCyclF);
 163
 164         /* Register the total GPU wait time, to redistribute with GPU sharing */
 165         dd_cycles_add(dd_, waitGpuCyclesInCpuRegion + waitGpuCyclesEstimate, ddCyclWaitGPU);
 166
 167         /* Close the region */
 168         reg->isOpenOnGpu = false;
 169         reg->isOpen      = false;
 170     }
 171 }
 172
 173 //! Accumulates flop counts for force calculations.
 174 static double force_flop_count(const t_nrnb *nrnb)
 175 {
 176     int         i;
 177     double      sum;
 178     const char *name;
 179
 180     sum = 0;
 181     for (i = 0; i < eNR_NBKERNEL_FREE_ENERGY; i++)
 182     {
 183         /* To get closer to the real timings, we half the count
 184          * for the normal loops and again half it for water loops.
 185          */
 186         name = nrnb_str(i);
 187         if (strstr(name, "W3") != nullptr || strstr(name, "W4") != nullptr)
 188         {
 189             sum += nrnb->n[i]*0.25*cost_nrnb(i);
 190         }
 191         else
 192         {
 193             sum += nrnb->n[i]*0.50*cost_nrnb(i);
 194         }
 195     }
 196     for (i = eNR_NBKERNEL_FREE_ENERGY; i <= eNR_NB14; i++)
 197     {
 198         name = nrnb_str(i);
 199         if (strstr(name, "W3") != nullptr || strstr(name, "W4") != nullptr)
 200         {
 201             sum += nrnb->n[i]*cost_nrnb(i);
 202         }
 203     }
 204     for (i = eNR_BONDS; i <= eNR_WALLS; i++)
 205     {
 206         sum += nrnb->n[i]*cost_nrnb(i);
 207     }
 208
 209     return sum;
 210 }
 211
 212 void dd_force_flop_start(gmx_domdec_t *dd, t_nrnb *nrnb)
 213 {
 214     if (dd->comm->eFlop)
 215     {
 216         dd->comm->flop -= force_flop_count(nrnb);
 217     }
 218 }
 219
 220 void dd_force_flop_stop(gmx_domdec_t *dd, t_nrnb *nrnb)
 221 {
 222     if (dd->comm->eFlop)
 223     {
 224         dd->comm->flop += force_flop_count(nrnb);
 225         dd->comm->flop_n++;
 226     }
 227 }
 228
 229 void clear_dd_cycle_counts(gmx_domdec_t *dd)
 230 {
 231     int i;
 232
 233     for (i = 0; i < ddCyclNr; i++)
 234     {
 235         dd->comm->cycl[i]     = 0;
 236         dd->comm->cycl_n[i]   = 0;
 237         dd->comm->cycl_max[i] = 0;
 238     }
 239     dd->comm->flop   = 0;
 240     dd->comm->flop_n = 0;
 241 }