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This commit is contained in:
Axel Kohlmeyer
2021-02-17 18:47:41 -05:00
parent f367e66aba
commit 45f6e9ec2e
2 changed files with 6 additions and 6 deletions
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10
src/atom.cpp
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@ -2153,7 +2153,7 @@ void Atom::setup_sort_bins()
bininvy = nbiny / (bboxhi[1]-bboxlo[1]);
bininvz = nbinz / (bboxhi[2]-bboxlo[2]);
#ifdef LMP_USER_INTEL
#ifdef LMP_USER_INTEL
int intel_neigh = 0;
if (neighbor->nrequest) {
if (neighbor->requests[0]->intel) intel_neigh = 1;
@ -2198,9 +2198,9 @@ void Atom::setup_sort_bins()
bboxhi[1] = bboxlo[1] + static_cast<double>(nbiny) / bininvy;
bboxhi[2] = bboxlo[2] + static_cast<double>(nbinz) / bininvz;
}
#endif
#endif
#ifdef LMP_GPU
#ifdef LMP_GPU
if (userbinsize == 0.0) {
int ifix = modify->find_fix("package_gpu");
if (ifix >= 0) {
@ -2212,7 +2212,7 @@ void Atom::setup_sort_bins()
binsize = fix->binsize(subx, suby, subz, atom->nlocal,
neighbor->cutneighmax);
bininv = 1.0 / binsize;
nbinx = static_cast<int> (ceil(subx * bininv));
nbiny = static_cast<int> (ceil(suby * bininv));
nbinz = static_cast<int> (ceil(subz * bininv));
@ -2227,7 +2227,7 @@ void Atom::setup_sort_bins()
bininvz = bininv;
}
}
#endif
#endif
if (1.0*nbinx*nbiny*nbinz > INT_MAX)
error->one(FLERR,"Too many atom sorting bins");