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communication.c
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communication.c
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/*
Copyright (C) 2010 The ESPResSo project
Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010 Max-Planck-Institute for Polymer Research, Theory Group, PO Box 3148, 55021 Mainz, Germany
This file is part of ESPResSo.
ESPResSo is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
ESPResSo is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
#include <mpi.h>
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include "utils.h"
#include "communication.h"
#include "interaction_data.h"
#include "particle_data.h"
#include "integrate.h"
#include "cells.h"
#include "global.h"
#include "grid.h"
#include "initialize.h"
#include "forces.h"
#include "rotation.h"
#include "p3m.h"
#include "ewald.h"
#include "statistics.h"
#include "energy.h"
#include "pressure.h"
#include "random.h"
#include "lj.h"
#include "lb.h"
#include "morse.h"
#include "buckingham.h"
#include "tab.h"
#include "overlap.h"
#include "ljcos.h"
#include "ljangle.h"
#include "gb.h"
#include "mmm1d.h"
#include "mmm2d.h"
#include "maggs.h"
#include "elc.h"
#include "iccp3m.h"
#include "statistics_chain.h"
#include "statistics_fluid.h"
#include "topology.h"
#include "errorhandling.h"
#include "molforces.h"
int this_node = -1;
int n_nodes = -1;
/**********************************************
* slave callbacks.
**********************************************/
/** slave callback procedure */
typedef void (SlaveCallback)(int node, int param);
/** \name request codes in asynchronous mode
Keep this in sync with \ref communication::callbacks and \ref communication::names. */
/*@{*/
/** Action number for \ref mpi_stop. */
#define REQ_TERM 0
/** Action number for \ref mpi_bcast_parameter. */
#define REQ_BCAST_PAR 1
/** Action number for \ref mpi_who_has. */
#define REQ_WHO_HAS 2
/** Action number for \ref mpi_bcast_event. */
#define REQ_EVENT 3
/** Action number for \ref mpi_place_particle. */
#define REQ_PLACE 4
/** Action number for \ref mpi_send_v. */
#define REQ_SET_V 5
/** Action number for \ref mpi_send_f. */
#define REQ_SET_F 6
/** Action number for \ref mpi_send_q. */
#define REQ_SET_Q 7
/** Action number for \ref mpi_send_type. */
#define REQ_SET_TYPE 8
/** Action number for \ref mpi_send_bond. */
#define REQ_SET_BOND 9
/** Action number for \ref mpi_recv_part. */
#define REQ_GET_PART 10
/** Action number for \ref mpi_integrate. */
#define REQ_INTEGRATE 11
/** Action number for \ref mpi_bcast_ia_params. */
#define REQ_BCAST_IA 12
/** Action number for \ref mpi_bcast_n_particle_types. */
#define REQ_BCAST_IA_SIZE 13
/** Action number for \ref mpi_gather_stats. */
#define REQ_GATHER 14
/** Action number for \ref mpi_set_time_step. */
#define REQ_SET_TIME_STEP 15
/** Action number for \ref mpi_get_particles. */
#define REQ_GETPARTS 16
/** Action number for \ref mpi_bcast_coulomb_params. */
#define REQ_BCAST_COULOMB 17
/** Action number for \ref mpi_send_ext. */
#define REQ_SET_EXT 18
/** Action number for \ref mpi_place_particle. */
#define REQ_PLACE_NEW 19
/** Action number for \ref mpi_remove_particle */
#define REQ_REM_PART 20
/** Action number for \ref mpi_bcast_constraint */
#define REQ_BCAST_CONSTR 21
/** Action number for \ref mpi_random_seed */
#define REQ_RANDOM_SEED 22
/** Action number for \ref mpi_random_stat */
#define REQ_RANDOM_STAT 23
/** Action number for \ref mpi_lj_cap_forces. */
#define REQ_BCAST_LFC 24
/** Action number for \ref mpi_tab_cap_forces. */
#define REQ_BCAST_TFC 25
/** Action number for \ref mpi_random_seed */
#define REQ_BIT_RANDOM_SEED 26
/** Action number for \ref mpi_random_stat */
#define REQ_BIT_RANDOM_STAT 27
/** Action number for \ref mpi_get_constraint_force */
#define REQ_GET_CONSFOR 28
/** Action number for \ref mpi_rescale_particles */
#define REQ_RESCALE_PART 29
/** Action number for \ref mpi_bcast_cell_structure */
#define REQ_BCAST_CS 30
/** Action number for \ref mpi_send_quat. */
#define REQ_SET_QUAT 31
/** Action number for \ref mpi_send_omega. */
#define REQ_SET_OMEGA 32
/** Action number for \ref mpi_send_torque. */
#define REQ_SET_TORQUE 33
/** Action number for \ref mpi_send_mol_id. */
#define REQ_SET_MOLID 34
/** Action number for \ref mpi_bcast_nptiso_geom */
#define REQ_BCAST_NPTISO_GEOM 35
/** Action number for \ref mpi_update_mol_ids */
#define REQ_UPDATE_MOL_IDS 36
/** Action number for \ref mpi_sync_topo_part_info */
#define REQ_SYNC_TOPO 37
/** Action number for \ref mpi_send_mass. */
#define REQ_SET_MASS 38
/** Action number for \ref mpi_buck_cap_forces. */
#define REQ_BCAST_BFC 39
/** Action number for \ref mpi_gather_runtime_errors */
#define REQ_GET_ERRS 40
/** Action number for \ref mpi_send_exclusion. */
#define REQ_SET_EXCL 41
/** Action number for \ref mpi_morse_cap_forces. */
#define REQ_BCAST_MFC 42
/** Action number for \ref mpi_bcast_lb_params. */
#define REQ_BCAST_LBPAR 43
/** Action number for \ref mpi_send_dip. */
#define REQ_SET_DIP 44
/** Action number for \ref mpi_send_dipm. */
#define REQ_SET_DIPM 45
/** Action number for \ref mpi_send_fluid. */
#define REQ_SET_FLUID 46
/** Action number for \ref mpi_recv_fluid. */
#define REQ_GET_FLUID 47
/** Action number for \ref mpi_local_stress_tensor*/
#define REQ_GET_LOCAL_STRESS_TENSOR 48
/** Action number for \ref mpi_ljangle_cap_forces. */
#define REQ_BCAST_LAFC 49
/** Action number for \ref mpi_send_isVirtual. */
#define REQ_SET_ISVI 50
/** ADRESS - Action number for \ref mpi_bcast_tf_params. */
#define REQ_BCAST_TF 51
/** Action number for \ref mpi_iccp3m_iteration. */
#define REQ_ICCP3M_ITERATION 52
/** Action number for \ref mpi_iccp3m_init. */
#define REQ_ICCP3M_INIT 53
/** Action number for \ref mpi_send_rotational_inertia. */
#define REQ_SET_RINERTIA 54
/** Action for sending virtual sites-relative properties */
#define REQ_SET_VS_RELATIVE 55
/** Total number of action numbers. */
#define REQ_MAXIMUM 56
/*@}*/
/** \name Slave Callbacks
These functions are the slave node counterparts for the
commands the master node issues. The master node function *
corresponds to the slave node function *_slave.
*/
/*@{*/
void mpi_stop_slave(int node, int parm);
void mpi_bcast_parameter_slave(int node, int parm);
void mpi_who_has_slave(int node, int parm);
void mpi_bcast_event_slave(int node, int parm);
void mpi_place_particle_slave(int node, int parm);
void mpi_send_v_slave(int node, int parm);
void mpi_send_f_slave(int node, int parm);
void mpi_send_q_slave(int node, int parm);
void mpi_send_type_slave(int node, int parm);
void mpi_send_bond_slave(int node, int parm);
void mpi_recv_part_slave(int node, int parm);
void mpi_integrate_slave(int node, int parm);
void mpi_iccp3m_iteration_slave(int node, int parm);
void mpi_iccp3m_init_slave(int node, int parm);
void mpi_bcast_ia_params_slave(int node, int parm);
void mpi_bcast_n_particle_types_slave(int node, int parm);
void mpi_gather_stats_slave(int node, int parm);
void mpi_set_time_step_slave(int node, int parm);
void mpi_get_particles_slave(int node, int parm);
void mpi_bcast_coulomb_params_slave(int node, int parm);
void mpi_send_ext_slave(int node, int parm);
void mpi_remove_particle_slave(int node, int parm);
void mpi_bcast_constraint_slave(int node, int parm);
void mpi_random_seed_slave(int node, int parm);
void mpi_random_stat_slave(int node, int parm);
void mpi_lj_cap_forces_slave(int node, int parm);
void mpi_tab_cap_forces_slave(int node, int parm);
void mpi_bit_random_seed_slave(int node, int parm);
void mpi_bit_random_stat_slave(int node, int parm);
void mpi_get_constraint_force_slave(int node, int parm);
void mpi_rescale_particles_slave(int node, int parm);
void mpi_bcast_cell_structure_slave(int node, int parm);
void mpi_send_quat_slave(int node, int parm);
void mpi_send_omega_slave(int node, int parm);
void mpi_send_torque_slave(int node, int parm);
void mpi_send_mol_id_slave(int node, int parm);
void mpi_bcast_nptiso_geom_slave(int node, int parm);
void mpi_update_mol_ids_slave(int node, int parm);
void mpi_sync_topo_part_info_slave(int node, int parm);
void mpi_send_mass_slave(int node, int parm);
void mpi_buck_cap_forces_slave(int node, int parm);
void mpi_gather_runtime_errors_slave(int node, int parm);
void mpi_send_exclusion_slave(int node, int parm);
void mpi_morse_cap_forces_slave(int node, int parm);
void mpi_bcast_lb_params_slave(int node, int parm);
void mpi_send_dip_slave(int node, int parm);
void mpi_send_dipm_slave(int node, int parm);
void mpi_send_fluid_slave(int node, int parm);
void mpi_recv_fluid_slave(int node, int parm);
void mpi_local_stress_tensor_slave(int node, int parm);
void mpi_ljangle_cap_forces_slave(int node, int parm);
void mpi_send_isVirtual_slave(int node, int parm);
void mpi_bcast_tf_params_slave(int node, int parm);
void mpi_send_rotational_inertia_slave(int node, int parm);
void mpi_send_vs_relative_slave(int pnode, int part);
/*@}*/
/** A list of which function has to be called for
the issued command. */
static SlaveCallback *slave_callbacks[] = {
mpi_stop_slave, /* 0: REQ_TERM */
mpi_bcast_parameter_slave, /* 1: REQ_BCAST_PAR */
mpi_who_has_slave, /* 2: REQ_WHO_HAS */
mpi_bcast_event_slave, /* 3: REQ_EVENT */
mpi_place_particle_slave, /* 4: REQ_SET_POS */
mpi_send_v_slave, /* 5: REQ_SET_V */
mpi_send_f_slave, /* 6: REQ_SET_F */
mpi_send_q_slave, /* 7: REQ_SET_Q */
mpi_send_type_slave, /* 8: REQ_SET_TYPE */
mpi_send_bond_slave, /* 9: REQ_SET_BOND */
mpi_recv_part_slave, /* 10: REQ_GET_PART */
mpi_integrate_slave, /* 11: REQ_INTEGRATE */
mpi_bcast_ia_params_slave, /* 12: REQ_BCAST_IA */
mpi_bcast_n_particle_types_slave, /* 13: REQ_BCAST_IA_SIZE */
mpi_gather_stats_slave, /* 14: REQ_GATHER */
mpi_set_time_step_slave, /* 15: REQ_SET_TIME_STEP */
mpi_get_particles_slave, /* 16: REQ_GETPARTS */
mpi_bcast_coulomb_params_slave, /* 17: REQ_BCAST_COULOMB */
mpi_send_ext_slave, /* 18: REQ_SEND_EXT */
mpi_place_particle_slave, /* 19: REQ_PLACE_NEW */
mpi_remove_particle_slave, /* 20: REQ_REM_PART */
mpi_bcast_constraint_slave, /* 21: REQ_BCAST_CONSTR */
mpi_random_seed_slave, /* 22: REQ_RANDOM_SEED */
mpi_random_stat_slave, /* 23: REQ_RANDOM_STAT */
mpi_lj_cap_forces_slave, /* 24: REQ_BCAST_LFC */
mpi_tab_cap_forces_slave, /* 25: REQ_BCAST_TFC */
mpi_bit_random_seed_slave, /* 26: REQ_RANDOM_SEED */
mpi_bit_random_stat_slave, /* 27: REQ_RANDOM_STAT */
mpi_get_constraint_force_slave, /* 28: REQ_GET_CONSFOR */
mpi_rescale_particles_slave, /* 29: REQ_RESCALE_PART */
mpi_bcast_cell_structure_slave, /* 30: REQ_BCAST_CS */
mpi_send_quat_slave, /* 31: REQ_SET_QUAT */
mpi_send_omega_slave, /* 32: REQ_SET_OMEGA */
mpi_send_torque_slave, /* 33: REQ_SET_TORQUE */
mpi_send_mol_id_slave, /* 34: REQ_SET_MOLID */
mpi_bcast_nptiso_geom_slave, /* 35: REQ_BCAST_NPTISO_GEOM */
mpi_update_mol_ids_slave, /* 36: REQ_UPDATE_MOL_IDS */
mpi_sync_topo_part_info_slave, /* 37: REQ_SYNC_TOPO */
mpi_send_mass_slave, /* 38: REQ_SET_MASS */
mpi_buck_cap_forces_slave, /* 39: REQ_BCAST_LFC */
mpi_gather_runtime_errors_slave, /* 40: REQ_GET_ERRS */
mpi_send_exclusion_slave, /* 41: REQ_SET_EXCL */
mpi_morse_cap_forces_slave, /* 42: REQ_BCAST_MFC */
mpi_bcast_lb_params_slave, /* 43: REQ_LB_BCAST */
mpi_send_dip_slave, /* 44: REQ_SET_DIP */
mpi_send_dipm_slave, /* 45: REQ_SET_DIPM */
mpi_send_fluid_slave, /* 46: REQ_SET_FLUID */
mpi_recv_fluid_slave, /* 47: REQ_GET_FLUID */
mpi_local_stress_tensor_slave, /* 48: REQ_GET_LOCAL_STRESS_TENSOR */
mpi_ljangle_cap_forces_slave, /* 49: REQ_BCAST_LAFC */
mpi_send_isVirtual_slave, /* 50: REQ_SET_ISVI */
mpi_bcast_tf_params_slave, /* 51: REQ_BCAST_TF */
mpi_iccp3m_iteration_slave, /* 52: REQ_ICCP3M_ITERATION */
mpi_iccp3m_init_slave, /* 53: REQ_ICCP3M_INIT */
mpi_send_rotational_inertia_slave,/* 54: REQ_SET_RINERTIA */
mpi_send_vs_relative_slave,/* 55: REQ_SET_RINERTIA */
};
/** Names to be printed when communication debugging is on. */
char *names[] = {
"TERM" , /* 0 */
"BCAST_PAR" , /* 1 */
"WHO_HAS" , /* 2 */
"EVENT" , /* 3 */
"SET_POS" , /* 4 */
"SET_V" , /* 5 */
"SET_F" , /* 6 */
"SET_Q" , /* 7 */
"SET_TYPE" , /* 8 */
"SET_BOND" , /* 9 */
"GET_PART" , /* 10 */
"INTEGRATE" , /* 11 */
"BCAST_IA" , /* 12 */
"BCAST_IAS" , /* 13 */
"GATHER" , /* 14 */
"TIME_STEP" , /* 15 */
"GET_PARTS" , /* 16 */
"BCAST_CIA" , /* 17 */
"SEND_EXT" , /* 18 */
"PLACE_NEW" , /* 19 */
"REM_PART" , /* 20 */
"BCAST_CON" , /* 21 */
"RAND_SEED" , /* 22 */
"RAND_STAT" , /* 23 */
"BCAST_LFC" , /* 24 */
"BCAST_TFC" , /* 25 */
"BIT_RAND_SEED", /* 26 */
"BIT_RAND_STAT", /* 27 */
"GET_CONSTR", /* 28 */
"RESCALE_PART", /* 29 */
"BCAST_CS", /* 30 */
"SET_QUAT" , /* 31 */
"SET_OMEGA", /* 32 */
"SET_TORQUE", /* 33 */
"SET_MOLID", /* 34 */
"BCAST_NPT_GEOM", /* 35 */
"UPDATE_MOL_IDS", /* 36 */
"SYNC_TOPO", /* 37 */
"SET_MASS", /* 38 */
"BCAST_BFC" , /* 39 */
"GET_ERRS", /* 40 */
"SET_EXCL", /* 41 */
"BCAST_MFC" , /* 42 */
"BCAST_LB", /* 43 */
"SET_DIP", /* 44 */
"SET_DIPM", /* 45 */
"SET_FLUID", /* 46 */
"GET_FLUID", /* 47 */
"GET_LOCAL_STRESS_TENSOR", /* 48 */
"BCAST_LAFC", /* 49 */
"SET_ISVI", /* 50 */
"REQ_BCAST_TF", /* 51 */
"REQ_ICCP3M_ITERATION", /* 52 */
"REQ_ICCP3M_INIT", /* 53 */
"SET_RINERTIA", /* 54 */
};
/** the requests are compiled here. So after a crash you get the last issued request */
static int request[3];
/**********************************************
* procedures
**********************************************/
#ifdef MPI_CORE
void mpi_core(MPI_Comm *comm, int *errcode,...) {
int len;
char string[1024];
MPI_Error_string(*errcode, string, &len);
fprintf(stderr, "%d: Aborting due to MPI error %d: %s. Forcing core dump.\n", this_node, *errcode, string);
core();
}
#endif
void mpi_init(int *argc, char ***argv)
{
#ifdef MPI_CORE
MPI_Errhandler mpi_errh;
#endif
MPI_Init(argc, argv);
MPI_Comm_rank(MPI_COMM_WORLD, &this_node);
MPI_Comm_size(MPI_COMM_WORLD, &n_nodes);
#ifdef MPI_CORE
MPI_Errhandler_create((MPI_Handler_function *)mpi_core, &mpi_errh);
MPI_Errhandler_set(MPI_COMM_WORLD, mpi_errh);
#endif
}
static void mpi_issue(int reqcode, int node, int param)
{
request[0] = reqcode;
request[1] = node;
request[2] = param;
COMM_TRACE(fprintf(stderr, "0: issuing %s(%d), assigned to node %d\n",
names[reqcode], param, node));
#ifdef ASYNC_BARRIER
MPI_Barrier(MPI_COMM_WORLD);
#endif
MPI_Bcast(request, 3, MPI_INT, 0, MPI_COMM_WORLD);
}
/**************** REQ_TERM ************/
static int terminated = 0;
void mpi_stop()
{
if (terminated)
return;
mpi_issue(REQ_TERM, -1, 0);
MPI_Barrier(MPI_COMM_WORLD);
MPI_Finalize();
regular_exit = 1;
terminated = 1;
}
void mpi_stop_slave(int node, int param)
{
COMM_TRACE(fprintf(stderr, "%d: exiting\n", this_node));
MPI_Barrier(MPI_COMM_WORLD);
MPI_Finalize();
regular_exit = 1;
exit(0);
}
/*************** REQ_BCAST_PAR ************/
static void common_bcast_parameter(int i)
{
switch (fields[i].type) {
case TYPE_INT:
MPI_Bcast((int *)fields[i].data, fields[i].dimension,
MPI_INT, 0, MPI_COMM_WORLD);
break;
case TYPE_BOOL:
MPI_Bcast((int *)fields[i].data, 1,
MPI_INT, 0, MPI_COMM_WORLD);
break;
case TYPE_DOUBLE:
MPI_Bcast((double *)fields[i].data, fields[i].dimension,
MPI_DOUBLE, 0, MPI_COMM_WORLD);
break;
default: break;
}
on_parameter_change(i);
}
int mpi_bcast_parameter(int i)
{
mpi_issue(REQ_BCAST_PAR, -1, i);
common_bcast_parameter(i);
return check_runtime_errors();
}
void mpi_bcast_parameter_slave(int node, int i)
{
common_bcast_parameter(i);
check_runtime_errors();
}
/*************** REQ_WHO_HAS ****************/
void mpi_who_has()
{
Cell *cell;
int *sizes = malloc(sizeof(int)*n_nodes);
int *pdata = NULL;
int pdata_s = 0, i, c;
int pnode;
int n_part;
MPI_Status status;
mpi_issue(REQ_WHO_HAS, -1, 0);
n_part = cells_get_n_particles();
/* first collect number of particles on each node */
MPI_Gather(&n_part, 1, MPI_INT, sizes, 1, MPI_INT, 0, MPI_COMM_WORLD);
for (i = 0; i <= max_seen_particle; i++)
particle_node[i] = -1;
/* then fetch particle locations */
for (pnode = 0; pnode < n_nodes; pnode++) {
COMM_TRACE(fprintf(stderr, "node %d reports %d particles\n",
pnode, sizes[pnode]));
if (pnode == this_node) {
for (c = 0; c < local_cells.n; c++) {
cell = local_cells.cell[c];
for (i = 0; i < cell->n; i++)
particle_node[cell->part[i].p.identity] = this_node;
}
}
else if (sizes[pnode] > 0) {
if (pdata_s < sizes[pnode]) {
pdata_s = sizes[pnode];
pdata = (int *)realloc(pdata, sizeof(int)*pdata_s);
}
MPI_Recv(pdata, sizes[pnode], MPI_INT, pnode, REQ_WHO_HAS,
MPI_COMM_WORLD, &status);
for (i = 0; i < sizes[pnode]; i++)
particle_node[pdata[i]] = pnode;
}
}
free(pdata);
free(sizes);
}
void mpi_who_has_slave(int node, int param)
{
Cell *cell;
int npart, i, c;
int *sendbuf;
int n_part;
n_part = cells_get_n_particles();
MPI_Gather(&n_part, 1, MPI_INT, NULL, 0, MPI_INT, 0, MPI_COMM_WORLD);
if (n_part == 0)
return;
sendbuf = malloc(sizeof(int)*n_part);
npart = 0;
for (c = 0; c < local_cells.n; c++) {
cell = local_cells.cell[c];
for (i = 0; i < cell->n; i++)
sendbuf[npart++] = cell->part[i].p.identity;
}
MPI_Send(sendbuf, npart, MPI_INT, 0, REQ_WHO_HAS, MPI_COMM_WORLD);
free(sendbuf);
}
/**************** REQ_CHTOPL ***********/
void mpi_bcast_event(int event)
{
mpi_issue(REQ_EVENT, -1, event);
mpi_bcast_event_slave(-1, event);
}
void mpi_bcast_event_slave(int node, int event)
{
switch (event) {
#ifdef ELECTROSTATICS
#ifdef ELP3M
case P3M_COUNT_CHARGES:
P3M_count_charged_particles();
break;
#endif
case EWALD_COUNT_CHARGES:
EWALD_count_charged_particles();
break;
case MAGGS_COUNT_CHARGES:
maggs_count_charged_particles();
break;
#endif
case INVALIDATE_SYSTEM:
local_invalidate_system();
break;
#ifdef ADDITIONAL_CHECKS
case CHECK_PARTICLES:
check_particles();
break;
#endif
#ifdef MAGNETOSTATICS
#ifdef ELP3M
case P3M_COUNT_DIPOLES:
P3M_count_magnetic_particles();
break;
#endif
#endif
default:;
}
}
/****************** REQ_PLACE/REQ_PLACE_NEW ************/
void mpi_place_particle(int pnode, int part, int new, double p[3])
{
if (new) {
mpi_issue(REQ_PLACE_NEW, pnode, part);
added_particle(part);
}
else
mpi_issue(REQ_PLACE, pnode, part);
if (pnode == this_node)
local_place_particle(part, p, new);
else
MPI_Send(p, 3, MPI_DOUBLE, pnode, REQ_PLACE, MPI_COMM_WORLD);
on_particle_change();
}
void mpi_place_particle_slave(int pnode, int part)
{
double p[3];
MPI_Status status;
int new = (request[0] == REQ_PLACE_NEW);
if (new)
added_particle(part);
if (pnode == this_node) {
MPI_Recv(p, 3, MPI_DOUBLE, 0, REQ_PLACE, MPI_COMM_WORLD, &status);
local_place_particle(part, p, new);
}
on_particle_change();
}
/****************** REQ_SET_V ************/
void mpi_send_v(int pnode, int part, double v[3])
{
mpi_issue(REQ_SET_V, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
memcpy(p->m.v, v, 3*sizeof(double));
}
else
MPI_Send(v, 3, MPI_DOUBLE, pnode, REQ_SET_V, MPI_COMM_WORLD);
on_particle_change();
}
void mpi_send_v_slave(int pnode, int part)
{
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(p->m.v, 3, MPI_DOUBLE, 0, REQ_SET_V,
MPI_COMM_WORLD, &status);
}
on_particle_change();
}
/****************** REQ_SET_F ************/
void mpi_send_f(int pnode, int part, double F[3])
{
mpi_issue(REQ_SET_F, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
memcpy(p->f.f, F, 3*sizeof(double));
}
else
MPI_Send(F, 3, MPI_DOUBLE, pnode, REQ_SET_F, MPI_COMM_WORLD);
on_particle_change();
}
void mpi_send_f_slave(int pnode, int part)
{
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(p->f.f, 3, MPI_DOUBLE, 0, REQ_SET_F,
MPI_COMM_WORLD, &status);
}
on_particle_change();
}
/********************* REQ_SET_Q ********/
void mpi_send_q(int pnode, int part, double q)
{
#ifdef ELECTROSTATICS
mpi_issue(REQ_SET_Q, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
p->p.q = q;
}
else {
MPI_Send(&q, 1, MPI_DOUBLE, pnode, REQ_SET_Q, MPI_COMM_WORLD);
}
on_particle_change();
#endif
}
void mpi_send_q_slave(int pnode, int part)
{
#ifdef ELECTROSTATICS
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(&p->p.q, 1, MPI_DOUBLE, 0, REQ_SET_Q,
MPI_COMM_WORLD, &status);
}
on_particle_change();
#endif
}
/********************* REQ_SET_M ********/
void mpi_send_mass(int pnode, int part, double mass)
{
#ifdef MASS
mpi_issue(REQ_SET_MASS, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
p->p.mass = mass;
}
else {
MPI_Send(&mass, 1, MPI_DOUBLE, pnode, REQ_SET_MASS, MPI_COMM_WORLD);
}
on_particle_change();
#endif
}
void mpi_send_mass_slave(int pnode, int part)
{
#ifdef MASS
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(&p->p.mass, 1, MPI_DOUBLE, 0, REQ_SET_MASS,
MPI_COMM_WORLD, &status);
}
on_particle_change();
#endif
}
/********************* REQ_SET_RINERTIA ********/
void mpi_send_rotational_inertia(int pnode, int part, double rinertia[3])
{
#ifdef ROTATIONAL_INERTIA
mpi_issue(REQ_SET_RINERTIA, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
p->p.rinertia[0] = rinertia[0];
p->p.rinertia[1] = rinertia[1];
p->p.rinertia[2] = rinertia[2];
}
else {
MPI_Send(rinertia, 3, MPI_DOUBLE, pnode, REQ_SET_RINERTIA, MPI_COMM_WORLD);
}
on_particle_change();
#endif
}
void mpi_send_rotational_inertia_slave(int pnode, int part)
{
#ifdef ROTATIONAL_INERTIA
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(p->p.rinertia, 3, MPI_DOUBLE, 0, REQ_SET_RINERTIA,
MPI_COMM_WORLD, &status);
}
on_particle_change();
#endif
}
/********************* REQ_SET_TYPE ********/
void mpi_send_type(int pnode, int part, int type)
{
mpi_issue(REQ_SET_TYPE, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
p->p.type = type;
}
else
MPI_Send(&type, 1, MPI_INT, pnode, REQ_SET_TYPE, MPI_COMM_WORLD);
on_particle_change();
}
void mpi_send_type_slave(int pnode, int part)
{
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(&p->p.type, 1, MPI_INT, 0, REQ_SET_TYPE,
MPI_COMM_WORLD, &status);
}
on_particle_change();
}
/********************* REQ_SET_MOLID ********/
void mpi_send_mol_id(int pnode, int part, int mid)
{
mpi_issue(REQ_SET_MOLID, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
p->p.mol_id = mid;
}
else
MPI_Send(&mid, 1, MPI_INT, pnode, REQ_SET_MOLID, MPI_COMM_WORLD);
on_particle_change();
}
void mpi_send_mol_id_slave(int pnode, int part)
{
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(&p->p.mol_id, 1, MPI_INT, 0, REQ_SET_MOLID,
MPI_COMM_WORLD, &status);
}
on_particle_change();
}
/********************* REQ_SET_QUAT ********/
void mpi_send_quat(int pnode, int part, double quat[4])
{
#ifdef ROTATION
mpi_issue(REQ_SET_QUAT, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
p->r.quat[0] = quat[0];
p->r.quat[1] = quat[1];
p->r.quat[2] = quat[2];
p->r.quat[3] = quat[3];
convert_quat_to_quatu(p->r.quat, p->r.quatu);
#ifdef DIPOLES
convert_quatu_to_dip(p->r.quatu, p->p.dipm, p->r.dip);
#endif
}
else {
MPI_Send(quat, 4, MPI_DOUBLE, pnode, REQ_SET_QUAT, MPI_COMM_WORLD);
}
on_particle_change();
#endif
}
void mpi_send_quat_slave(int pnode, int part)
{
#ifdef ROTATION
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(p->r.quat, 4, MPI_DOUBLE, 0, REQ_SET_QUAT,
MPI_COMM_WORLD, &status);
convert_quat_to_quatu(p->r.quat, p->r.quatu);
#ifdef DIPOLES
convert_quatu_to_dip(p->r.quatu, p->p.dipm, p->r.dip);
#endif
}
on_particle_change();
#endif
}
/********************* REQ_SET_OMEGA ********/
void mpi_send_omega(int pnode, int part, double omega[3])
{
#ifdef ROTATION
mpi_issue(REQ_SET_OMEGA, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
/* memcpy(p->omega, omega, 3*sizeof(double));*/
p->m.omega[0] = omega[0];
p->m.omega[1] = omega[1];
p->m.omega[2] = omega[2];
}
else {
MPI_Send(omega, 3, MPI_DOUBLE, pnode, REQ_SET_OMEGA, MPI_COMM_WORLD);
}
on_particle_change();
#endif
}
void mpi_send_omega_slave(int pnode, int part)
{
#ifdef ROTATION
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(p->m.omega, 3, MPI_DOUBLE, 0, REQ_SET_OMEGA,
MPI_COMM_WORLD, &status);
}
on_particle_change();
#endif
}
/********************* REQ_SET_TORQUE ********/
void mpi_send_torque(int pnode, int part, double torque[3])
{
#ifdef ROTATION
mpi_issue(REQ_SET_TORQUE, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
p->f.torque[0] = torque[0];
p->f.torque[1] = torque[1];
p->f.torque[2] = torque[2];
}
else {
MPI_Send(torque, 3, MPI_DOUBLE, pnode, REQ_SET_TORQUE, MPI_COMM_WORLD);
}
on_particle_change();
#endif
}
void mpi_send_torque_slave(int pnode, int part)
{
#ifdef ROTATION
if (pnode == this_node) {
Particle *p = local_particles[part];
MPI_Status status;
MPI_Recv(p->f.torque, 3, MPI_DOUBLE, 0, REQ_SET_TORQUE,
MPI_COMM_WORLD, &status);
}
on_particle_change();
#endif
}
/********************* REQ_SET_DIP ********/
void mpi_send_dip(int pnode, int part, double dip[3])
{
#ifdef DIPOLES
mpi_issue(REQ_SET_DIP, pnode, part);
if (pnode == this_node) {
Particle *p = local_particles[part];
p->r.dip[0] = dip[0];
p->r.dip[1] = dip[1];
p->r.dip[2] = dip[2];
#ifdef ROTATION
convert_dip_to_quat(p->r.dip, p->r.quat, &p->p.dipm);
convert_quat_to_quatu(p->r.quat, p->r.quatu);
#endif
}
else {
MPI_Send(dip, 3, MPI_DOUBLE, pnode, REQ_SET_DIP, MPI_COMM_WORLD);
}