correct incorrect bugfix (2069c7a5) · Commits · 郑智淋 / lammps

src/random_mars.cpp

+2 −7

Original line number	Diff line number	Diff line
		@@ -183,7 +183,7 @@ void RanMars::select_subset(bigint ntarget, int nmine, int mark, int next)
		int mode,index,oldindex,newvalue,nflip,which,niter;
		int active[2],first[2],last[2];
		int newactive[2],newfirst[2],newlast[2];
		bigint nmark,nactive,nactiveall,nflipall;
		bigint nmark,nflipall;
		bigint activeall[2],bsum[4],bsumall[4];
		double thresh;

		@@ -210,15 +210,12 @@ void RanMars::select_subset(bigint ntarget, int nmine, int mark, int next)

		// choose to ADD or SUBTRACT from current nmark
		// thresh = desired flips / size of active set
		// nactive = size of current active set, only for debug output below

		if (ntarget-nmark > 0) {
		mode = ADD;
		// nactive = active[mode];
		thresh = 1.0 * (ntarget-nmark) / activeall[mode];
		} else {
		mode = SUBTRACT;
		// nactive = active[mode];
		thresh = 1.0 * (nmark-ntarget) / activeall[mode];
		}

		@@ -278,12 +275,10 @@ void RanMars::select_subset(bigint ntarget, int nmine, int mark, int next)
		bsum[0] = nflip;
		bsum[1] = active[0];
		bsum[2] = active[1];
		bsum[3] = nactive;
		MPI_Allreduce(&bsum,&bsumall,4,MPI_LMP_BIGINT,MPI_SUM,world);
		MPI_Allreduce(&bsum,&bsumall,3,MPI_LMP_BIGINT,MPI_SUM,world);
		nflipall = bsumall[0];
		activeall[0] = bsumall[1];
		activeall[1] = bsumall[2];
		nactiveall = bsumall[3];

		if (mode == ADD) nmark += nflipall;
		else if (mode == SUBTRACT) nmark -= nflipall;