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

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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
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1
examples/USER/misc/srp/in.srp
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@ -15,6 +15,7 @@ bond_style harmonic
bond_coeff * 225.0 0.85 bond_coeff * 225.0 0.85
comm_modify vel yes comm_modify vel yes
comm_modify cutoff 3.6
# must use pair hybrid, since srp bond particles # must use pair hybrid, since srp bond particles
# do not interact with other atoms types # do not interact with other atoms types

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