Merge pull request #1556 from lammps/bug-maxexchange (11a3fd6c) · Commits · 郑智淋 / lammps

src/BODY/body_nparticle.cpp

+1 −0

Original line number	Diff line number	Diff line
		@@ -46,6 +46,7 @@ BodyNparticle::BodyNparticle(LAMMPS lmp, int narg, char *arg) :

		icp = new MyPoolChunk<int>(1,1);
		dcp = new MyPoolChunk<double>(3nmin,3nmax);
		maxexchange = 1 + 3*nmax; // icp max + dcp max

		memory->create(imflag,nmax,"body/nparticle:imflag");
		memory->create(imdata,nmax,4,"body/nparticle:imdata");

+1 −0

Original line number	Diff line number	Diff line
		@@ -63,6 +63,7 @@ BodyRoundedPolygon::BodyRoundedPolygon(LAMMPS lmp, int narg, char *arg) :

		icp = new MyPoolChunk<int>(1,1);
		dcp = new MyPoolChunk<double>(3nmin+2nmin+1+1,3nmax+2nmax+1+1);
		maxexchange = 1 + 3nmax+2nmax+1+1; // icp max + dcp max

		memory->create(imflag,nmax,"body/rounded/polygon:imflag");
		memory->create(imdata,nmax,7,"body/nparticle:imdata");

+1 −0

Original line number	Diff line number	Diff line
		@@ -63,6 +63,7 @@ BodyRoundedPolyhedron::BodyRoundedPolyhedron(LAMMPS lmp, int narg, char *arg)
		icp = new MyPoolChunk<int>(1,3);
		dcp = new MyPoolChunk<double>(3*nmin+2+1+1,
		3nmax+2nmax+MAX_FACE_SIZE*nmax+1+1);
		maxexchange = 3 + 3nmax+2nmax+MAX_FACE_SIZE*nmax+1+1; // icp max + dcp max

		memory->create(imflag,2*nmax,"body/rounded/polyhedron:imflag");
		memory->create(imdata,2*nmax,7,"body/polyhedron:imdata");

+1 −1

Original line number	Diff line number	Diff line
		@@ -99,7 +99,7 @@ void FixNeighHistoryKokkos<DeviceType>::pre_exchange()

		copymode = 0;

		comm->maxexchange_fix = MAX(comm->maxexchange_fix,(dnum+1)*maxpartner+1);
		maxexchange = (dnum+1)*maxpartner+1;
		}

		/* ---------------------------------------------------------------------- */

+8 −3

Original line number	Diff line number	Diff line
		@@ -171,6 +171,8 @@ void FixNeighHistoryOMP::pre_exchange_onesided()
		}

		// set maxpartner = max # of partners of any owned atom
		// maxexchange = max # of values for any Comm::exchange() atom

		maxpartner = m = 0;
		for (i = lfrom; i < lto; i++)
		m = MAX(m,npartner[i]);
		@@ -180,7 +182,7 @@ void FixNeighHistoryOMP::pre_exchange_onesided()
		#endif
		{
		maxpartner = MAX(m,maxpartner);
		comm->maxexchange_fix =MAX(comm->maxexchange_fix,(dnum+1)*maxpartner+1);
		maxexchange = (dnum+1)*maxpartner+1;
		}
		}

		@@ -343,6 +345,7 @@ void FixNeighHistoryOMP::pre_exchange_newton()
		}

		// set maxpartner = max # of partners of any owned atom
		// maxexchange = max # of values for any Comm::exchange() atom
		m = 0;
		for (i = lfrom; i < lto; i++)
		m = MAX(m,npartner[i]);
		@@ -352,7 +355,7 @@ void FixNeighHistoryOMP::pre_exchange_newton()
		#endif
		{
		maxpartner = MAX(m,maxpartner);
		comm->maxexchange_fix = MAX(comm->maxexchange_fix,(dnum+1)*maxpartner+1);
		maxexchange = (dnum+1)*maxpartner+1;
		}
		}

		@@ -481,6 +484,8 @@ void FixNeighHistoryOMP::pre_exchange_no_newton()
		}

		// set maxpartner = max # of partners of any owned atom
		// maxexchange = max # of values for any Comm::exchange() atom

		m = 0;
		for (i = lfrom; i < lto; i++)
		m = MAX(m,npartner[i]);
		@@ -490,7 +495,7 @@ void FixNeighHistoryOMP::pre_exchange_no_newton()
		#endif
		{
		maxpartner = MAX(m,maxpartner);
		comm->maxexchange_fix = MAX(comm->maxexchange_fix,(dnum+1)*maxpartner+1);
		maxexchange = (dnum+1)*maxpartner+1;
		}
		}
		}