ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fix Kokkos neighlist issue and remove N2 option

Browse Source
This commit is contained in:
Stan Moore
2020-04-28 10:33:10 -06:00
parent 2e07345cea
commit 712b8668cb
27 changed files with 15 additions and 245 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/KOKKOS/kokkos.cpp
View File

@ -306,7 +306,7 @@ void KokkosLMP::accelerator(int narg, char **arg)
neighflag = HALFTHREAD;
else
neighflag = HALF;
} else if (strcmp(arg[iarg+1],"n2") == 0) neighflag = N2;
}
else error->all(FLERR,"Illegal package kokkos command");
if (!neighflag_qeq_set) neighflag_qeq = neighflag;
iarg += 2;
@ -318,7 +318,7 @@ void KokkosLMP::accelerator(int narg, char **arg)
neighflag_qeq = HALFTHREAD;
else
neighflag_qeq = HALF;
} else if (strcmp(arg[iarg+1],"n2") == 0) neighflag_qeq = N2;
}
else error->all(FLERR,"Illegal package kokkos command");
neighflag_qeq_set = 1;
iarg += 2;