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Enumerations | Functions

Description

This file declares functions for timing the load imbalance due to domain decomposition.

Author
Berk Hess hess@.nosp@m.kth..nosp@m.se

Enumerations

enum  DdOpenBalanceRegionBeforeForceComputation { DdOpenBalanceRegionBeforeForceComputation::no, DdOpenBalanceRegionBeforeForceComputation::yes }
 Tells if we should open the balancing region. More...
 
enum  DdCloseBalanceRegionAfterForceComputation { DdCloseBalanceRegionAfterForceComputation::no, DdCloseBalanceRegionAfterForceComputation::yes }
 Tells if we should close the balancing region after the force computation has completed. More...
 
enum  DdAllowBalanceRegionReopen { DdAllowBalanceRegionReopen::no, DdAllowBalanceRegionReopen::yes }
 Tells if we should open the balancing region. More...
 
enum  DdBalanceRegionWaitedForGpu { DdBalanceRegionWaitedForGpu::no, DdBalanceRegionWaitedForGpu::yes }
 Tells if we had to wait for a GPU to finish computation. More...
 

Functions

BalanceRegion * ddBalanceRegionAllocate ()
 Returns a pointer to a constructed BalanceRegion struct. More...
 
void ddOpenBalanceRegionCpu (const gmx_domdec_t *dd, DdAllowBalanceRegionReopen allowReopen)
 Open the load balance timing region on the CPU. More...
 
void ddOpenBalanceRegionGpu (const gmx_domdec_t *dd)
 Open the load balance timing region for the CPU. More...
 
void ddReopenBalanceRegionCpu (const gmx_domdec_t *dd)
 Re-open the, already opened, load balance timing region. More...
 
void ddCloseBalanceRegionCpu (const gmx_domdec_t *dd)
 Close the load balance timing region on the CPU side. More...
 
void ddCloseBalanceRegionGpu (const gmx_domdec_t *dd, float waitCyclesGpuInCpuRegion, DdBalanceRegionWaitedForGpu waitedForGpu)
 Close the load balance timing region on the GPU side. More...
 

Enumeration Type Documentation

Tells if we should open the balancing region.

Enumerator
no 

Do not allow opening an already open region.

yes 

Allow opening an already open region.

Tells if we had to wait for a GPU to finish computation.

Enumerator
no 

The GPU finished computation before the CPU needed the result.

yes 

We had to wait for the GPU to finish computation.

Tells if we should close the balancing region after the force computation has completed.

Enumerator
no 

Do not close a balancing region.

yes 

Close the balancing region after computation completed.

Tells if we should open the balancing region.

Enumerator
no 

Do not open a balancing region.

yes 

Open the balancing region before update or after pair-search.

Function Documentation

BalanceRegion* ddBalanceRegionAllocate ( )

Returns a pointer to a constructed BalanceRegion struct.

Should be replaced by a proper constructor once BalanceRegion is a proper class (requires restructering in domdec.cpp).

void ddCloseBalanceRegionCpu ( const gmx_domdec_t *  dd)

Close the load balance timing region on the CPU side.

Parameters
[in,out]ddThe domain decomposition struct
void ddCloseBalanceRegionGpu ( const gmx_domdec_t *  dd,
float  waitCyclesGpuInCpuRegion,
DdBalanceRegionWaitedForGpu  waitedForGpu 
)

Close the load balance timing region on the GPU side.

This should be called after the CPU receives the last (local) results from the GPU. The wait time for these results is estimated, depending on the waitedForGpu parameter. If called on an already closed region, this call does nothing.

Parameters
[in,out]ddThe domain decomposition struct
[in]waitCyclesGpuInCpuRegionThe time we waited for the GPU earlier, overlapping completely with the open CPU region
[in]waitedForGpuTells if we waited for the GPU to finish now
void ddOpenBalanceRegionCpu ( const gmx_domdec_t *  dd,
DdAllowBalanceRegionReopen  allowReopen 
)

Open the load balance timing region on the CPU.

Opens the balancing region for timing how much time it takes to perform the (balancable part of) the MD step. This should be called right after the last communication during the previous step to maximize the region. In practice this means right after the force communication finished or just before neighbor search at search steps. It is assumed that computation done in the region either scales along with the domain size or takes constant time.

Parameters
[in,out]ddThe domain decomposition struct
[in]allowReopenAllows calling with a potentially already opened region
void ddOpenBalanceRegionGpu ( const gmx_domdec_t *  dd)

Open the load balance timing region for the CPU.

This can only be called within a region that is open on the CPU side.

void ddReopenBalanceRegionCpu ( const gmx_domdec_t *  dd)

Re-open the, already opened, load balance timing region.

This function should be called after every MPI communication that occurs in the main MD loop. Note that the current setup assumes that all MPI communication acts like a global barrier. But if some ranks don't participate in communication or if some ranks communicate faster with neighbors than others, the obtained timings might not accurately reflect the computation time.

Parameters
[in,out]ddThe domain decomposition struct