rather than adjusting the communication cutoff, we just print out the minimum... (0a2b78ac) · Commits · 郑智淋 / lammps

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.

examples/USER/misc/srp/in.srp

+1 −0

Original line number	Diff line number	Diff line
		@@ -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

src/USER-MISC/fix_srp.cpp

+4 −7

Original line number	Diff line number	Diff line
		@@ -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

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