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manage_threading.cpp File Reference
#include "gmxpre.h"
#include "manage_threading.h"
#include "config.h"
#include <cassert>
#include <cinttypes>
#include <climits>
#include <cstdlib>
#include <algorithm>
#include <string>
#include "gromacs/listed_forces/gpubonded.h"
#include "gromacs/pbcutil/ishift.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"
#include "listed_internal.h"
#include "utilities.h"
+ Include dependency graph for manage_threading.cpp:

Description

This file defines functions for managing threading of listed interactions.

Author
Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m
Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes

struct  ilist_data_t
 struct for passing all data required for a function type More...
 

Functions

static void divide_bondeds_by_locality (bonded_threading_t *bt, int numType, const ilist_data_t *ild)
 Divides listed interactions over threads. More...
 
static bool ftypeHasPerturbedEntries (const InteractionDefinitions &idef, int ftype)
 Return whether function type ftype in idef has perturbed interactions.
 
static void divide_bondeds_over_threads (bonded_threading_t *bt, bool useGpuForBondeds, const InteractionDefinitions &idef)
 Divides bonded interactions over threads and GPU.
 
static void calc_bonded_reduction_mask (int natoms, f_thread_t *f_thread, const InteractionDefinitions &idef, int thread, const bonded_threading_t &bondedThreading)
 Construct a reduction mask for which parts (blocks) of the force array are touched on which thread task.
 
void setup_bonded_threading (bonded_threading_t *bt, int numAtomsForce, bool useGpuForBondeds, const InteractionDefinitions &idef)
 Divide the listed interactions over the threads and GPU. More...
 

Function Documentation

static void divide_bondeds_by_locality ( bonded_threading_t bt,
int  numType,
const ilist_data_t ild 
)
static

Divides listed interactions over threads.

This routine attempts to divide all interactions of the numType bondeds types stored in ild over the threads such that each thread has roughly equal load and different threads avoid touching the same atoms as much as possible.

void setup_bonded_threading ( bonded_threading_t bt,
int  numAtomsForce,
bool  useGpuForBondeds,
const InteractionDefinitions &  idef 
)

Divide the listed interactions over the threads and GPU.

Uses fr->nthreads for the number of threads, and sets up the thread-force buffer reduction. This should be called each time the bonded setup changes; i.e. at start-up without domain decomposition and at DD.