forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7341 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
86347b81e3
commit
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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/* ----------------------------------------------------------------------
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Contributing author (NUMA option) : Mike Brown (ORNL)
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------------------------------------------------------------------------- */
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#include "procmap.h"
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#include "domain.h"
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#include "math_extra.h"
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#include "memory.h"
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#include "error.h"
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#include <map>
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#include <string>
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using namespace LAMMPS_NS;
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enum{MULTIPLE}; // same as in Comm
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/* ---------------------------------------------------------------------- */
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ProcMap::ProcMap(LAMMPS *lmp) : Pointers(lmp) {}
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/* ----------------------------------------------------------------------
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create a 1-level 3d grid of procs via procs2box()
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------------------------------------------------------------------------- */
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int ProcMap::onelevel_grid(int nprocs, int *user_procgrid, int *procgrid,
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int otherflag, int other_style_caller,
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int *other_procgrid_caller)
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{
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other_style = other_style_caller;
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other_procgrid[0] = other_procgrid_caller[0];
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other_procgrid[1] = other_procgrid_caller[1];
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other_procgrid[2] = other_procgrid_caller[2];
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int flag = procs2box(nprocs,user_procgrid,procgrid,1,1,1,otherflag);
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return flag;
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}
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/* ----------------------------------------------------------------------
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create a 3d grid of procs that does a 2-level hierarchy within a node
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auto-detects NUMA sockets within a multi-core node
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return 1 if successful, 0 if not
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------------------------------------------------------------------------- */
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int ProcMap::numa_grid(int nprocs, int *user_procgrid, int *procgrid,
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int *numagrid)
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{
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// hardwire this for now
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int numa_nodes = 1;
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// get names of all nodes
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int name_length;
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char node_name[MPI_MAX_PROCESSOR_NAME];
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char node_names[MPI_MAX_PROCESSOR_NAME*nprocs];
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MPI_Get_processor_name(node_name,&name_length);
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MPI_Allgather(&node_name,MPI_MAX_PROCESSOR_NAME,MPI_CHAR,&node_names,
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MPI_MAX_PROCESSOR_NAME,MPI_CHAR,world);
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std::string node_string = std::string(node_name);
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// get number of procs per node
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std::map<std::string,int> name_map;
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std::map<std::string,int>::iterator np;
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for (int i = 0; i < nprocs; i++) {
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std::string i_string = std::string(&node_names[i*MPI_MAX_PROCESSOR_NAME]);
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np = name_map.find(i_string);
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if (np == name_map.end()) name_map[i_string] = 1;
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else np->second++;
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}
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procs_per_node = name_map.begin()->second;
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procs_per_numa = procs_per_node / numa_nodes;
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// return error if any of these conditions met
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if (procs_per_numa < 4 || // less than 4 procs per numa node
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procs_per_node % numa_nodes || // no-op since numa_nodes = 1 for now
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nprocs % procs_per_numa || // total procs not a multiple of node
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nprocs == procs_per_numa || // only 1 node used
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user_procgrid[0] > 1 || // user specified grid > 1 in any dim
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user_procgrid[1] > 1 ||
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user_procgrid[2] > 1)
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return 0;
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// user settings for the factorization per numa node
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// currently not user settable
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int user_numagrid[3];
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user_numagrid[0] = user_numagrid[1] = user_numagrid[2] = 0;
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// if user specifies 1 for a proc grid dimension,
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// also use 1 for the numa grid dimension
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if (user_procgrid[0] == 1) user_numagrid[0] = 1;
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if (user_procgrid[1] == 1) user_numagrid[1] = 1;
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if (user_procgrid[2] == 1) user_numagrid[2] = 1;
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// initial factorization within NUMA node
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procs2box(procs_per_numa,user_numagrid,numagrid,1,1,1,0);
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if (numagrid[0]*numagrid[1]*numagrid[2] != procs_per_numa)
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error->all(FLERR,"Bad grid of processors");
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// factorization for the grid of NUMA nodes
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int node_count = nprocs / procs_per_numa;
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procs2box(node_count,user_procgrid,nodegrid,
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numagrid[0],numagrid[1],numagrid[2],0);
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if (procgrid[0]*procgrid[1]*procgrid[2] != node_count)
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error->all(FLERR,"Bad grid of processors");
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// repeat NUMA node factorization using subdomain sizes
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// refines the factorization if the user specified the node layout
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procs2box(procs_per_numa,user_numagrid,numagrid,
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procgrid[0],procgrid[1],procgrid[2],0);
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// assign a unique id to each node
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node_id = 0;
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int node_num = 0;
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for (np = name_map.begin(); np != name_map.end(); ++np) {
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if (np->first == node_string) node_id = node_num;
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node_num++;
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}
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// return the proc-level factorization
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procgrid[0] = nodegrid[0] * numagrid[0];
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procgrid[1] = nodegrid[1] * numagrid[1];
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procgrid[2] = nodegrid[2] * numagrid[2];
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return 1;
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}
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/* ----------------------------------------------------------------------
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create a 1-level 3d grid of procs via procs2box()
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------------------------------------------------------------------------- */
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void ProcMap::custom_grid(int nprocs, int *user_procgrid, int *procgrid)
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{
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}
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/* ----------------------------------------------------------------------
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assign nprocs to 3d box so as to minimize surface area
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area = surface area of each of 3 faces of simulation box divided by sx,sy,sz
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for triclinic, area = cross product of 2 edge vectors stored in h matrix
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valid assignment will be factorization of nprocs = Px by Py by Pz
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user_factors = if non-zero, factors are specified by user
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sx,sy,sz = scale box xyz dimension vy dividing by sx,sy,sz
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other = 1 to enforce compatability with other partition's layout
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return factors = # of procs assigned to each dimension
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return 1 if factor successfully, 0 if not
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------------------------------------------------------------------------- */
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int ProcMap::procs2box(int nprocs, int *user_factors, int *factors,
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const int sx, const int sy, const int sz, int other)
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{
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factors[0] = user_factors[0];
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factors[1] = user_factors[1];
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factors[2] = user_factors[2];
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// all 3 proc counts are specified
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if (factors[0] && factors[1] && factors[2]) return 1;
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// 2 out of 3 proc counts are specified
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if (factors[0] > 0 && factors[1] > 0) {
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factors[2] = nprocs/(factors[0]*factors[1]);
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return 1;
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} else if (factors[0] > 0 && factors[2] > 0) {
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factors[1] = nprocs/(factors[0]*factors[2]);
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return 1;
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} else if (factors[1] > 0 && factors[2] > 0) {
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factors[0] = nprocs/(factors[1]*factors[2]);
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return 1;
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}
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// determine cross-sectional areas for orthogonal and triclinic boxes
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// area[0] = xy, area[1] = xz, area[2] = yz
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double area[3];
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if (domain->triclinic == 0) {
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area[0] = domain->xprd * domain->yprd / (sx * sy);
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area[1] = domain->xprd * domain->zprd / (sx * sz);
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area[2] = domain->yprd * domain->zprd / (sy * sz);
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} else {
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double *h = domain->h;
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double a[3],b[3],c[3];
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a[0] = h[0]; a[1] = 0.0; a[2] = 0.0;
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b[0] = h[5]; b[1] = h[1]; b[2] = 0.0;
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MathExtra::cross3(a,b,c);
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area[0] = sqrt(c[0]*c[0] + c[1]*c[1] + c[2]*c[2]) / (sx * sy);
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a[0] = h[0]; a[1] = 0.0; a[2] = 0.0;
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b[0] = h[4]; b[1] = h[3]; b[2] = h[2];
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MathExtra::cross3(a,b,c);
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area[1] = sqrt(c[0]*c[0] + c[1]*c[1] + c[2]*c[2]) / (sx * sz);
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a[0] = h[5]; a[1] = h[1]; a[2] = 0.0;
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b[0] = h[4]; b[1] = h[3]; b[2] = h[2];
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MathExtra::cross3(a,b,c);
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area[2] = sqrt(c[0]*c[0] + c[1]*c[1] + c[2]*c[2]) / (sy * sz);
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}
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double bestsurf = 2.0 * (area[0]+area[1]+area[2]);
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// loop thru all possible factorizations of nprocs
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// only consider valid cases that match procgrid settings
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// surf = surface area of a proc sub-domain
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// only consider cases that match user_factors & other_procgrid settings
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// success = 1 if valid factoriztion is found
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// may not be if other constraint is enforced
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int ipx,ipy,ipz,valid;
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double surf;
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int success = 0;
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ipx = 1;
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while (ipx <= nprocs) {
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valid = 1;
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if (user_factors[0] && ipx != user_factors[0]) valid = 0;
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if (other) {
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if (other_style == MULTIPLE && other_procgrid[0] % ipx) valid = 0;
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}
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if (nprocs % ipx) valid = 0;
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if (!valid) {
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ipx++;
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continue;
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}
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ipy = 1;
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while (ipy <= nprocs/ipx) {
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valid = 1;
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if (user_factors[1] && ipy != user_factors[1]) valid = 0;
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if (other) {
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if (other_style == MULTIPLE && other_procgrid[1] % ipy) valid = 0;
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}
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if ((nprocs/ipx) % ipy) valid = 0;
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if (!valid) {
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ipy++;
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continue;
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}
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ipz = nprocs/ipx/ipy;
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valid = 1;
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if (user_factors[2] && ipz != user_factors[2]) valid = 0;
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if (other) {
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if (other_style == MULTIPLE && other_procgrid[2] % ipz) valid = 0;
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}
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if (domain->dimension == 2 && ipz != 1) valid = 0;
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if (!valid) {
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ipy++;
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continue;
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}
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surf = area[0]/ipx/ipy + area[1]/ipx/ipz + area[2]/ipy/ipz;
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if (surf < bestsurf) {
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success = 1;
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bestsurf = surf;
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factors[0] = ipx;
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factors[1] = ipy;
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factors[2] = ipz;
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}
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ipy++;
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}
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ipx++;
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}
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return success;
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}
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/* ----------------------------------------------------------------------
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map processors to 3d grid via MPI_Cart routines
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MPI may do layout in machine-optimized fashion
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------------------------------------------------------------------------- */
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void ProcMap::cart_map(int reorder, int *procgrid,
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int *myloc, int procneigh[3][2], int ***grid2proc)
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{
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int periods[3];
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periods[0] = periods[1] = periods[2] = 1;
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MPI_Comm cartesian;
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MPI_Cart_create(world,3,procgrid,periods,reorder,&cartesian);
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MPI_Cart_get(cartesian,3,procgrid,periods,myloc);
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MPI_Cart_shift(cartesian,0,1,&procneigh[0][0],&procneigh[0][1]);
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MPI_Cart_shift(cartesian,1,1,&procneigh[1][0],&procneigh[1][1]);
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MPI_Cart_shift(cartesian,2,1,&procneigh[2][0],&procneigh[2][1]);
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int coords[3];
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int i,j,k;
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for (i = 0; i < procgrid[0]; i++)
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for (j = 0; j < procgrid[1]; j++)
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for (k = 0; k < procgrid[2]; k++) {
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coords[0] = i; coords[1] = j; coords[2] = k;
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MPI_Cart_rank(cartesian,coords,&grid2proc[i][j][k]);
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}
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MPI_Comm_free(&cartesian);
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}
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/* ----------------------------------------------------------------------
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map processors to 3d grid in XYZ order
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------------------------------------------------------------------------- */
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void ProcMap::xyz_map(char *xyz, int *procgrid,
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int *myloc, int procneigh[3][2], int ***grid2proc)
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{
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int me;
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MPI_Comm_rank(world,&me);
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int i,j,k;
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for (i = 0; i < procgrid[0]; i++)
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for (j = 0; j < procgrid[1]; j++)
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for (k = 0; k < procgrid[2]; k++) {
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grid2proc[i][j][k] = k*procgrid[1]*procgrid[0] + j*procgrid[0] + i;
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if (xyz[0] == 'x' && xyz[1] == 'y' && xyz[2] == 'z')
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grid2proc[i][j][k] = k*procgrid[1]*procgrid[0] + j*procgrid[0] + i;
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else if (xyz[0] == 'x' && xyz[1] == 'z' && xyz[2] == 'y')
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grid2proc[i][j][k] = j*procgrid[2]*procgrid[0] + k*procgrid[0] + i;
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else if (xyz[0] == 'y' && xyz[1] == 'x' && xyz[2] == 'z')
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grid2proc[i][j][k] = k*procgrid[0]*procgrid[1] + i*procgrid[1] + j;
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else if (xyz[0] == 'y' && xyz[1] == 'z' && xyz[2] == 'x')
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grid2proc[i][j][k] = i*procgrid[2]*procgrid[1] + k*procgrid[1] + j;
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else if (xyz[0] == 'z' && xyz[1] == 'x' && xyz[2] == 'y')
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grid2proc[i][j][k] = j*procgrid[0]*procgrid[2] + i*procgrid[2] + k;
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else if (xyz[0] == 'z' && xyz[1] == 'y' && xyz[2] == 'x')
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grid2proc[i][j][k] = i*procgrid[1]*procgrid[2] + j*procgrid[2] + k;
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if (grid2proc[i][j][k] == me) {
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myloc[0] = i; myloc[1] = j, myloc[2] = k;
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}
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}
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int minus,plus;
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grid_shift(myloc[0],procgrid[0],minus,plus);
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procneigh[0][0] = grid2proc[minus][myloc[1]][myloc[2]];
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procneigh[0][1] = grid2proc[plus][myloc[1]][myloc[2]];
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grid_shift(myloc[1],procgrid[1],minus,plus);
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procneigh[1][0] = grid2proc[myloc[0]][minus][myloc[2]];
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procneigh[1][1] = grid2proc[myloc[0]][plus][myloc[2]];
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grid_shift(myloc[2],procgrid[2],minus,plus);
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procneigh[2][0] = grid2proc[myloc[0]][myloc[1]][minus];
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procneigh[2][1] = grid2proc[myloc[0]][myloc[1]][plus];
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}
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/* ----------------------------------------------------------------------
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map processors to 3d grid in 2-level NUMA ordering
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------------------------------------------------------------------------- */
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void ProcMap::numa_map(int *numagrid,
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int *myloc, int procneigh[3][2], int ***grid2proc)
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{
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// setup a per node communicator and find rank within
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MPI_Comm node_comm;
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MPI_Comm_split(world,node_id,0,&node_comm);
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int node_rank;
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MPI_Comm_rank(node_comm,&node_rank);
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// setup a per numa communicator and find rank within
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MPI_Comm numa_comm;
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int local_numa = node_rank / procs_per_numa;
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MPI_Comm_split(node_comm,local_numa,0,&numa_comm);
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int numa_rank;
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MPI_Comm_rank(numa_comm,&numa_rank);
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// setup a communicator with the rank 0 procs from each numa node
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MPI_Comm numa_leaders;
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MPI_Comm_split(world,numa_rank,0,&numa_leaders);
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// use the MPI Cartesian routines to map the nodes to the grid
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// could implement xyz mapflag as in non-NUMA case?
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int reorder = 0;
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int periods[3];
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periods[0] = periods[1] = periods[2] = 1;
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MPI_Comm cartesian;
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if (numa_rank == 0) {
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MPI_Cart_create(numa_leaders,3,nodegrid,periods,reorder,&cartesian);
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MPI_Cart_get(cartesian,3,nodegrid,periods,myloc);
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}
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// broadcast numa node location in grid to other procs in numa node
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MPI_Bcast(myloc,3,MPI_INT,0,numa_comm);
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// compute my location within the node grid
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int z_offset = numa_rank / (numagrid[0] * numagrid[1]);
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int y_offset = (numa_rank % (numagrid[0] * numagrid[1]))/numagrid[0];
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int x_offset = numa_rank % numagrid[0];
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myloc[0] = myloc[0] * numagrid[0] + x_offset;
|
||||
myloc[1] = myloc[1] * numagrid[1] + y_offset;
|
||||
myloc[2] = myloc[2] * numagrid[2] + z_offset;
|
||||
|
||||
// allgather of locations to fill grid2proc
|
||||
|
||||
int nprocs;
|
||||
MPI_Comm_size(world,&nprocs);
|
||||
|
||||
int **gridi;
|
||||
memory->create(gridi,nprocs,3,"comm:gridi");
|
||||
MPI_Allgather(&myloc,3,MPI_INT,gridi[0],3,MPI_INT,world);
|
||||
for (int i = 0; i < nprocs; i++)
|
||||
grid2proc[gridi[i][0]][gridi[i][1]][gridi[i][2]] = i;
|
||||
memory->destroy(gridi);
|
||||
|
||||
// proc IDs of neighbors
|
||||
|
||||
int minus,plus;
|
||||
grid_shift(myloc[0],nodegrid[0]*numagrid[0],minus,plus);
|
||||
procneigh[0][0] = grid2proc[minus][myloc[1]][myloc[2]];
|
||||
procneigh[0][1] = grid2proc[plus][myloc[1]][myloc[2]];
|
||||
|
||||
grid_shift(myloc[1],nodegrid[1]*numagrid[1],minus,plus);
|
||||
procneigh[1][0] = grid2proc[myloc[0]][minus][myloc[2]];
|
||||
procneigh[1][1] = grid2proc[myloc[0]][plus][myloc[2]];
|
||||
|
||||
grid_shift(myloc[2],nodegrid[2]*numagrid[2],minus,plus);
|
||||
procneigh[2][0] = grid2proc[myloc[0]][myloc[1]][minus];
|
||||
procneigh[2][1] = grid2proc[myloc[0]][myloc[1]][plus];
|
||||
|
||||
// clean-up
|
||||
|
||||
if (numa_rank == 0) MPI_Comm_free(&cartesian);
|
||||
MPI_Comm_free(&numa_leaders);
|
||||
MPI_Comm_free(&numa_comm);
|
||||
MPI_Comm_free(&node_comm);
|
||||
}
|
||||
|
||||
/* ----------------------------------------------------------------------
|
||||
map processors to 3d grid in custom ordering
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void ProcMap::custom_map(int *myloc, int procneigh[3][2], int ***grid2proc)
|
||||
{
|
||||
}
|
||||
|
||||
/* ----------------------------------------------------------------------
|
||||
minus,plus = indices of neighboring processors in a dimension
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void ProcMap::grid_shift(int myloc, int nprocs, int &minus, int &plus)
|
||||
{
|
||||
minus = myloc - 1;
|
||||
if (minus < 0) minus = nprocs - 1;
|
||||
plus = myloc + 1;
|
||||
if (plus == nprocs) plus = 0;
|
||||
}
|
||||
|
||||
/* ----------------------------------------------------------------------
|
||||
output mapping of processors to 3d grid to file
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
void ProcMap::output(int ***grid22proc, char *file)
|
||||
{
|
||||
}
|
||||
|
|
@ -0,0 +1,48 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||
certain rights in this software. This software is distributed under
|
||||
the GNU General Public License.
|
||||
|
||||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef LMP_PROCMAP_H
|
||||
#define LMP_PROCMAP_H
|
||||
|
||||
#include "pointers.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
class ProcMap : protected Pointers {
|
||||
public:
|
||||
ProcMap(class LAMMPS *);
|
||||
~ProcMap() {}
|
||||
int onelevel_grid(int, int *, int *, int, int, int *);
|
||||
int numa_grid(int, int *, int *, int *);
|
||||
void custom_grid(int, int *, int *);
|
||||
void cart_map(int, int *, int *, int [3][2], int ***);
|
||||
void xyz_map(char *, int *, int *, int [3][2], int ***);
|
||||
void numa_map(int *, int *, int [3][2], int ***);
|
||||
void custom_map(int *, int [3][2], int ***);
|
||||
void output(int ***, char *);
|
||||
|
||||
private:
|
||||
int other_style;
|
||||
int other_procgrid[3];
|
||||
int nodegrid[3];
|
||||
int node_id;
|
||||
int procs_per_node;
|
||||
int procs_per_numa;
|
||||
|
||||
int procs2box(int, int *, int *, const int, const int, const int, int);
|
||||
void grid_shift(int, int, int &, int &);
|
||||
};
|
||||
|
||||
}
|
||||
|
||||
#endif
|
||||
Loading…
Reference in New Issue