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MetaD NL, not use mpi for the neighbor list update
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carlocamilloni committed Nov 8, 2020
1 parent 4052b02 commit 0929ba4
Showing 1 changed file with 1 addition and 3 deletions.
4 changes: 1 addition & 3 deletions src/bias/MetaD.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -2099,14 +2099,12 @@ void MetaD::update_Kneighb() {
neigh_hills_.clear();
std::vector<Gaussian> local_flat_nl;
unsigned nt=OpenMP::getNumThreads();
unsigned stride=comm.Get_size();
unsigned rank=comm.Get_rank();

#pragma omp parallel num_threads(nt)
{
std::vector<Gaussian> private_flat_nl;
#pragma omp for nowait
for(unsigned k=rank; k<hills_.size(); k+=stride)
for(unsigned k=0; k<hills_.size(); k++)
{
double dist2=0;
for(unsigned i=0; i<getNumberOfArguments(); i++)
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2 comments on commit 0929ba4

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Found broken examples in automatic/performance-optimization.txt
Found broken examples in automatic/a-trieste-6.txt
Found broken examples in automatic/munster.txt
Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/EDS.tmp
Found broken examples in automatic/EMMI.tmp
Found broken examples in automatic/FOURIER_TRANSFORM.tmp
Found broken examples in automatic/FUNCPATHGENERAL.tmp
Found broken examples in automatic/FUNCPATHMSD.tmp
Found broken examples in automatic/FUNNEL_PS.tmp
Found broken examples in automatic/FUNNEL.tmp
Found broken examples in automatic/INCLUDE.tmp
Found broken examples in automatic/MAZE_MEMETIC_SAMPLING.tmp
Found broken examples in automatic/MAZE_OPTIMIZER_BIAS.tmp
Found broken examples in automatic/MAZE_RANDOM_ACCELERATION_MD.tmp
Found broken examples in automatic/MAZE_RANDOM_WALK.tmp
Found broken examples in automatic/MAZE_SIMULATED_ANNEALING.tmp
Found broken examples in automatic/MAZE_STEERED_MD.tmp
Found broken examples in automatic/PIV.tmp
Found broken examples in automatic/PLUMED.tmp
Found broken examples in MiscelaneousPP.md

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Found broken examples in automatic/performance-optimization.txt
Found broken examples in automatic/a-trieste-6.txt
Found broken examples in automatic/munster.txt
Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/EDS.tmp
Found broken examples in automatic/EMMI.tmp
Found broken examples in automatic/FOURIER_TRANSFORM.tmp
Found broken examples in automatic/FUNCPATHGENERAL.tmp
Found broken examples in automatic/FUNCPATHMSD.tmp
Found broken examples in automatic/FUNNEL_PS.tmp
Found broken examples in automatic/FUNNEL.tmp
Found broken examples in automatic/INCLUDE.tmp
Found broken examples in automatic/MAZE_MEMETIC_SAMPLING.tmp
Found broken examples in automatic/MAZE_OPTIMIZER_BIAS.tmp
Found broken examples in automatic/MAZE_RANDOM_ACCELERATION_MD.tmp
Found broken examples in automatic/MAZE_RANDOM_WALK.tmp
Found broken examples in automatic/MAZE_SIMULATED_ANNEALING.tmp
Found broken examples in automatic/MAZE_STEERED_MD.tmp
Found broken examples in automatic/PIV.tmp
Found broken examples in automatic/PLUMED.tmp
Found broken examples in MiscelaneousPP.md

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