rather than adjusting the communication cutoff, we just print out the minimum value needed and error out

i suspect, this communication cutoff adjustment was included into the code before it was possible to separately set it via comm_modify. stopping with an error message printing the needed/current value is cleaner, in keeping with other modules in LAMMPS and much less problematic.
This commit is contained in:
Axel Kohlmeyer
2017-01-16 15:47:02 -05:00
parent 473a3ebeef
commit 0a2b78acb8
2 changed files with 5 additions and 7 deletions

View File

@ -15,6 +15,7 @@ bond_style harmonic
bond_coeff * 225.0 0.85
comm_modify vel yes
comm_modify cutoff 3.6
# must use pair hybrid, since srp bond particles
# do not interact with other atoms types

View File

@ -264,14 +264,11 @@ void FixSRP::setup_pre_force(int zz)
if (cutghostmin > comm->cutghost[2])
cutghostmin = comm->cutghost[2];
// reset cutghost if needed
// stop if cutghost is insufficient
if (cutneighmax_srp > cutghostmin){
if(comm->me == 0){
sprintf(str, "Extending ghost comm cutoff. New %f, old %f.", cutneighmax_srp, cutghostmin);
error->message(FLERR,str);
}
// cutghost updated by comm->setup
comm->cutghostuser = cutneighmax_srp;
sprintf(str, "Communication cutoff too small for fix srp. "
"Need %f, current %f.", cutneighmax_srp, cutghostmin);
error->all(FLERR,str);
}
// assign tags for new atoms, update map