tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

disallow using the same GPU pair style multiple times as hybrid sub-style

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-04-19 01:23:54 -04:00
parent f3eb577b3b
commit 48e9f451f4
1 changed files with 9 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

9
src/pair_hybrid.cpp
View File

@ -547,6 +547,15 @@ void PairHybrid::init_style()
if (used == 0) error->all(FLERR,"Pair hybrid sub-style is not used");
}
// The GPU library uses global data for each pair style, so the
// same style must not be used multiple times
for (istyle = 0; istyle < nstyles; istyle++) {
bool is_gpu = (((PairHybrid *)styles[m])->suffix_flag & Suffix::GPU);
if (multiple[istyle] && is_gpu)
error->all(FLERR,"GPU package styles must not be used multiple times");
}
// check if special_lj/special_coul overrides are compatible
for (istyle = 0; istyle < nstyles; istyle++) {