Merge pull request #717 from cjknight/comm-nprocs-opt (b29a5558) · Commits · 郑智淋 / lammps

src/KSPACE/pppm.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -839,7 +839,7 @@ void PPPM::allocate()
		remap = new Remap(lmp,world,
		nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
		nxlo_fft,nxhi_fft,nylo_fft,nyhi_fft,nzlo_fft,nzhi_fft,
		1,0,0,FFT_PRECISION,collective_flag);
		1,0,0,FFT_PRECISION,collective_flag,1);

		// create ghost grid object for rho and electric field communication

+143 −125

Original line number	Diff line number	Diff line
		@@ -234,7 +234,8 @@ struct remap_plan_3d *remap_3d_create_plan(
		int in_klo, int in_khi,
		int out_ilo, int out_ihi, int out_jlo, int out_jhi,
		int out_klo, int out_khi,
		int nqty, int permute, int memory, int precision, int usecollective)
		int nqty, int permute, int memory, int precision, int usecollective,
		int hint_comm_dup)

		{

		@@ -455,6 +456,17 @@ struct remap_plan_3d *remap_3d_create_plan(
		// create sub-comm rank list

		if (plan->usecollective) {

		if (hint_comm_dup) {

		int commringlist = (int ) malloc(nprocs*sizeof(int));
		for (int i=0; i<nprocs; ++i) commringlist[i] = i;

		plan->commringlen = nprocs;
		plan->commringlist = commringlist;

		} else {

		plan->commringlist = NULL;

		// merge recv and send rank lists
		@@ -586,6 +598,8 @@ struct remap_plan_3d *remap_3d_create_plan(
		plan->commringlist = commringlist;
		}

		}

		// plan->nrecv = # of recvs not including self
		// for collectives include self in the nsend list

		@@ -638,12 +652,16 @@ struct remap_plan_3d *remap_3d_create_plan(
		// ranks from the commringlist

		if ((plan->usecollective && (plan->commringlen > 0))) {

		if (hint_comm_dup) MPI_Comm_dup(comm, &plan->comm);
		else {
		MPI_Group orig_group, new_group;
		MPI_Comm_group(comm, &orig_group);
		MPI_Group_incl(orig_group, plan->commringlen,
		plan->commringlist, &new_group);
		MPI_Comm_create(comm, new_group, &plan->comm);
		}
		}

		// if using collective and the comm ring list is empty create
		// a communicator for the plan with an empty group

+2 −1

Original line number	Diff line number	Diff line
		@@ -64,7 +64,8 @@ void remap_3d(FFT_SCALAR , FFT_SCALAR , FFT_SCALAR , struct remap_plan_3d );
		struct remap_plan_3d *remap_3d_create_plan(MPI_Comm,
		int, int, int, int, int, int,
		int, int, int, int, int, int,
		int, int, int, int, int);
		int, int, int, int, int,
		int hint_comm_dup = 0);
		void remap_3d_destroy_plan(struct remap_plan_3d *);
		int remap_3d_collide(struct extent_3d *,
		struct extent_3d , struct extent_3d );

+4 −2

Original line number	Diff line number	Diff line
		@@ -25,12 +25,14 @@ Remap::Remap(LAMMPS *lmp, MPI_Comm comm,
		int out_ilo, int out_ihi, int out_jlo, int out_jhi,
		int out_klo, int out_khi,
		int nqty, int permute, int memory,
		int precision, int usecollective) : Pointers(lmp)
		int precision, int usecollective,
		int hint_comm_dup) : Pointers(lmp)
		{
		plan = remap_3d_create_plan(comm,
		in_ilo,in_ihi,in_jlo,in_jhi,in_klo,in_khi,
		out_ilo,out_ihi,out_jlo,out_jhi,out_klo,out_khi,
		nqty,permute,memory,precision,usecollective);
		nqty,permute,memory,precision,usecollective,
		hint_comm_dup);
		if (plan == NULL) error->one(FLERR,"Could not create 3d remap plan");
		}

+2 −1

Original line number	Diff line number	Diff line
		@@ -22,7 +22,8 @@ namespace LAMMPS_NS {
		class Remap : protected Pointers {
		public:
		Remap(class LAMMPS *, MPI_Comm,int,int,int,int,int,int,
		int,int,int,int,int,int,int,int,int,int,int);
		int,int,int,int,int,int,int,int,int,int,int,
		int hint_comm_dup = 0);
		~Remap();
		void perform(FFT_SCALAR , FFT_SCALAR , FFT_SCALAR *);