diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp index e917ba56b5..8e5af61f5a 100644 --- a/src/GPU/pair_eam_gpu.cpp +++ b/src/GPU/pair_eam_gpu.cpp @@ -94,18 +94,13 @@ double PairEAMGPU::memory_usage() void PairEAMGPU::compute(int eflag, int vflag) { - double evdwl; - - evdwl = 0.0; if (eflag || vflag) ev_setup(eflag,vflag); else evflag = vflag_fdotr = eflag_global = eflag_atom = 0; - int nlocal = atom->nlocal; - int newton_pair = force->newton_pair; - // compute density on each atom on GPU - int nall = atom->nlocal + atom->nghost; + int nlocal = atom->nlocal; + int nall = nlocal + atom->nghost; int inum, host_start, inum_dev; bool success = true; diff --git a/src/REPLICA/verlet_split.cpp b/src/REPLICA/verlet_split.cpp index 1b1d06ab05..ac45b4f56d 100644 --- a/src/REPLICA/verlet_split.cpp +++ b/src/REPLICA/verlet_split.cpp @@ -191,7 +191,7 @@ VerletSplit::VerletSplit(LAMMPS *lmp, int narg, char **arg) : // f_kspace = Rspace copy of Kspace forces // allocate dummy version for Kspace partition - maxatom = 0; + maxatom = -1; f_kspace = NULL; if (!master) memory->create(f_kspace,1,1,"verlet/split:f_kspace"); } diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp index 0991b7c26a..6116653799 100644 --- a/src/fix_ave_histo.cpp +++ b/src/fix_ave_histo.cpp @@ -463,7 +463,7 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) : stats_list = NULL; bin_list = NULL; vector = NULL; - maxatom = 0; + maxatom = -1; if (ave == WINDOW) { memory->create(stats_list,nwindow,4,"histo:stats_list"); memory->create(bin_list,nwindow,nbins,"ave/histo:bin_list"); diff --git a/src/fix_ave_spatial.cpp b/src/fix_ave_spatial.cpp index c9defd4078..b863dc0bcc 100644 --- a/src/fix_ave_spatial.cpp +++ b/src/fix_ave_spatial.cpp @@ -370,7 +370,7 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) : maxvar = 0; varatom = NULL; - maxatom = 0; + maxatom = -1; bin = NULL; nbins = maxbin = 0;