From 0929ba4b6675de698efd29e571405ee07f28c4e2 Mon Sep 17 00:00:00 2001 From: carlocamilloni Date: Sun, 8 Nov 2020 23:18:35 +0100 Subject: [PATCH] MetaD NL, not use mpi for the neighbor list update --- src/bias/MetaD.cpp | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp index e36abe812f..9298f8e3bd 100644 --- a/src/bias/MetaD.cpp +++ b/src/bias/MetaD.cpp @@ -2099,14 +2099,12 @@ void MetaD::update_Kneighb() { neigh_hills_.clear(); std::vector 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 private_flat_nl; #pragma omp for nowait - for(unsigned k=rank; k