bug fix for dump sort in descending order (6759630c) · Commits · 郑智淋 / lammps

src/dump.cpp

+5 −1

Original line number	Diff line number	Diff line
		@@ -256,7 +256,7 @@ void Dump::init()
		if (maxall-minall+1 == isize) {
		reorderflag = 1;
		double range = maxall-minall + EPSILON;
		idlo = static_cast<int> (range*me/nprocs + minall);
		idlo = static_cast<tagint> (range*me/nprocs + minall);
		tagint idhi = static_cast<tagint> (range*(me+1)/nprocs + minall);

		tagint lom1 = static_cast<tagint> ((idlo-1-minall)/range * nprocs);
		@@ -636,9 +636,13 @@ void Dump::sort()
		MPI_Allreduce(&max,&maxall,1,MPI_DOUBLE,MPI_MAX,world);
		double range = maxall-minall + EPSILON*(maxall-minall);
		if (range == 0.0) range = EPSILON;

		// proc assignment is inverted if sortorder = DESCEND

		for (i = 0; i < nme; i++) {
		value = buf[i*size_one + sortcolm1];
		iproc = static_cast<int> ((value-minall)/range * nprocs);
		if (sortorder == DESCEND) iproc = nprocs-1 - iproc;
		proclist[i] = iproc;
		}
		}