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remove custom vector usage from USER-DPD:fix_rx.cpp

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This commit is contained in:
Steve Plimpton
2020-09-09 10:21:59 -06:00
parent 76725731fd
commit 64257393b9
1 changed files with 0 additions and 42 deletions
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42
src/USER-DPD/fix_rx.cpp
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@ -1327,10 +1327,6 @@ void FixRX::odeDiagnostics(void)
TimerType now = getTimeStamp();
// Query the fix database and look for rx_weight for the balance fix.
int type_flag = -1;
int rx_weight_index = atom->find_custom( "rx_weight", /*0:int, 1:float*/ type_flag );
// Compute the average # of neighbors.
double averageNumNeighbors = 0;
{
@ -1349,44 +1345,6 @@ void FixRX::odeDiagnostics(void)
printf("me= %d nst= %g nfc= %g time= %g nlocal= %g lmpnst= %g weight_idx= %d 1st= %d aveNeigh= %g\n", comm->me, this->diagnosticCounter[0], this->diagnosticCounter[1], this->diagnosticCounter[2], this->diagnosticCounter[3], this->diagnosticCounter[4], rx_weight_index, firstStep, averageNumNeighbors);
if (rx_weight_index != -1 && !firstStep && 0)
{
double *rx_weight = atom->dvector[rx_weight_index];
const int nlocal = atom->nlocal;
const int *mask = atom->mask;
if (odeIntegrationFlag == ODE_LAMMPS_RKF45 && diagnosticFrequency == 1)
{
const double total_time = getElapsedTime( oldTimeStamp, now );
const double fixrx_time = this->diagnosticCounter[TimeSum];
const double time_ratio = fixrx_time / total_time;
double tsum = 0.0;
double tmin = 100000, tmax = 0;
for (int i = 0; i < nlocal; ++i)
if (mask[i] & groupbit)
{
double nfunc_ratio = double( diagnosticCounterPerODE[FuncSum][i] ) / diagnosticCounter[FuncSum];
rx_weight[i] = nfunc_ratio * fixrx_time + (total_time - fixrx_time) / nlocal;
tmin = fmin( tmin, rx_weight[i] );
tmax = fmax( tmax, rx_weight[i] );
tsum += rx_weight[i];
//rx_weight[i] = (double) diagnosticCounterPerODE[FuncSum][i];
}
printf("me= %d total= %g fixrx= %g ratio= %g tsum= %g %g %g %g\n", comm->me, total_time, fixrx_time, time_ratio, tsum, (total_time - fixrx_time) / nlocal, tmin, tmax);
}
else
{
error->warning(FLERR, "Dynamic load balancing enabled but per-atom weights not available.");
for (int i = 0; i < nlocal; ++i)
if (mask[i] & groupbit)
rx_weight[i] = 1.0;
}
}
firstStep = false;
oldTimeStamp = now;
}