must re-initialized threads also for neigbor lists

This commit is contained in:
Axel Kohlmeyer
2023-10-11 02:05:23 -04:00
parent 84eab70fb4
commit 86a5d6bb15

View File

@ -32,6 +32,7 @@ namespace LAMMPS_NS {
// get access to number of threads and per-thread data structures via FixOMP
#define NPAIR_OMP_INIT \
const int nthreads = comm->nthreads; \
omp_set_num_threads(nthreads); \
const int ifix = modify->find_fix("package_omp")
// get thread id and then assign each thread a fixed chunk of atoms