void do_libtm_work(void) {
int tstep, i;
for ( tstep=0; tstep< NUMBER_TIMESTEPS; tstep++) {
//printf("\n1");PrintResults (INPARAMS tstep, (double)ekin, (double)epot, (double)vir,(double)vel,(double)count,numMoles,(int)ninter);
PARALLEL_EXECUTE( NTHREADS, UpdateCoordinates, NULL );
//printf("\n2");PrintResults (INPARAMS tstep, (double)ekin, (double)epot, (double)vir,(double)vel,(double)count,numMoles,(int)ninter);
vir = 0.0;
epot = 0.0;
ekin = 0.0;
vel = 0.0;
count = 0.0;
if ( tstep % neighUpdate == 0) {
ninter = 0;
PARALLEL_EXECUTE( NTHREADS, BuildNeigh, NULL );
//printf("\n3");PrintResults (INPARAMS tstep, (double)ekin, (double)epot, (double)vir,(double)vel,(double)count,numMoles,(int)ninter);
# ifdef PRINT_COORDINATES
PrintCoordinates(numMoles);
# endif
# ifdef PRINT_INTERACTION_LIST
PrintInteractionList(INPARAMS ninter);
# endif
# ifdef MEASURE
PrintConnectivity();
# endif
}
/*
for (i = 0; i < numMoles; ++i) {
f[IND(0, i)] = 0;
f[IND(0, i)] = 0;
f[IND(0, i)] = 0;
}
*/
PARALLEL_EXECUTE( NTHREADS, ComputeForces, NULL );
//printf("\n4");PrintResults (INPARAMS tstep, (double)ekin, (double)epot, (double)vir,(double)vel,(double)count,numMoles,(int)ninter);
PARALLEL_EXECUTE( NTHREADS, UpdateVelocities, NULL );
//printf("\n5");PrintResults (INPARAMS tstep, (double)ekin, (double)epot, (double)vir,(double)vel,(double)count,numMoles,(int)ninter);
PARALLEL_EXECUTE( NTHREADS, ComputeKE, NULL );
//printf("\n6");PrintResults (INPARAMS tstep, (double)ekin, (double)epot, (double)vir,(double)vel,(double)count,numMoles,(int)ninter);
PARALLEL_EXECUTE( NTHREADS, ComputeAvgVel, NULL );
//printf("\n7");
PrintResults (INPARAMS tstep, (double)ekin, (double)epot, (double)vir,(double)vel,(double)count,numMoles,(int)ninter);
}
TM_END();
return;
}
//main work function for each thread
void * do_thread_work (void * _id) {
int id = (int) _id;
int tstep, i;
cpu_set_t mask;
CPU_ZERO( &mask );
#ifdef WITH_SMT
CPU_SET( id*2, &mask );
#else
CPU_SET( id, &mask );
#endif
sched_setaffinity(0, sizeof(mask), &mask);
for ( tstep=0; tstep< NUMBER_TIMESTEPS; tstep++)
{
barrier_wait (&barrier);
//need to reset these global vars in the beginning of every timestep
//global vars, need to be protected
if (id == 0) {
vir = 0.0;
epot = 0.0;
ekin = 0.0;
vel = 0.0;
count = 0.0;
}
//because we have this barrier here, we don't need one at the end of
//each timestep; this barrier effectively acts as if it was at the end;
//we need it here because we need to perform the initializations above
//at the _beginning_ of each timestep.
//No, you need a barrier at the end, as well, because if you only have one
//here but not at the end, you may reset some of the above global vars
//while a slower thread is still computing stuff in the previous timestep...
//I'm not sure, but we may be able to replace this barrier with just
//asm volatile("mfence" ::: "memory");
barrier_wait (&barrier);
//UpdateCoordinates (NULL, id);
//PARALLEL_EXECUTE( NTHREADS, UpdateCoordinates, NULL );
//barrier_wait (&barrier);
if ( tstep % neighUpdate == 0)
{
//this barrier needed because of the single-threaded code below
barrier_wait (&barrier);
if (id == 0) {
#ifdef PRINT_COORDINATES
PrintCoordinates(numMoles);
#endif
//global var, needs to be protected
ninter = 0;
}
//this barrier needed because of the single-threaded code above
barrier_wait (&barrier);
BuildNeigh (NULL, id);
//PARALLEL_EXECUTE( NTHREADS, BuildNeigh, NULL );
//this barrier needed because of the single-threaded code below
barrier_wait (&barrier);
if (id == 0) {
#ifdef PRINT_INTERACTION_LIST
PrintInteractionList(INPARAMS ninter);
#endif
#ifdef MEASURE
PrintConnectivity();
#endif
}
//we need this here because otherwise fast threads might start
//changing the data that thread 0 is reading above while running
//PrintInteractionList() and PrintConnectivity().
barrier_wait (&barrier);
}
ComputeForces (NULL, id);
//PARALLEL_EXECUTE( NTHREADS, ComputeForces, NULL );
//this barrier disappears with relaxed predicated commits
barrier_wait (&barrier);
//UpdateVelocities (NULL, id);
//PARALLEL_EXECUTE( NTHREADS, UpdateVelocities, NULL );
//this barrier disappears with relaxed predicated commits
//barrier_wait (&barrier);
//ComputeKEVel (NULL, id);
//PARALLEL_EXECUTE( NTHREADS, ComputeKEVel, NULL );
//Mike: consolidated all update functions into 1
Update(NULL, id);
//need a barrier at the end of each timestep
barrier_wait (&barrier);
if (id == 0) {
PrintResults (INPARAMS tstep, (double)ekin, (double)epot, (double)vir,(double)vel,(double)count,numMoles,(int)ninter);
}
barrier_wait (&barrier);
}
return NULL;
}
