This file contains the asynchronous MPI communication. More...

#include "global.h"
#include "particle_data.h"
#include "random.h"
#include "topology.h"
#include <mpi.h>

Include dependency graph for communication.h:

Defines
Event codes for \ref mpi_bcast_event
These codes are used by mpi_bcast_event to notify certain changes of doing something now.
#define	P3M_COUNT_CHARGES 0
#define	INVALIDATE_SYSTEM 1
#define	CHECK_PARTICLES 2
#define	MAGGS_COUNT_CHARGES 3
#define	P3M_COUNT_DIPOLES 5
Functions
Exported Functions
void	mpi_init (int argc, char **argv)
	Initialize MPI and determine n_nodes and this_node.
void	mpi_loop ()
	Process requests from master node.
void	mpi_stop ()
	Issue REQ_TERM: stop Espresso, all slave nodes exit.
void	mpi_finalize ()
	Finalize MPI.
int	mpi_bcast_parameter (int i)
	Issue REQ_BCAST_PAR: broadcast a parameter from datafield.
void	mpi_who_has ()
	Issue REQ_WHO_HAS: ask nodes for their attached particles.
void	mpi_bcast_event (int event)
	Issue REQ_EVENT: tells all clients of some system change.
void	mpi_place_particle (int node, int id, double pos[3])
	Issue REQ_PLACE: move particle to a position on a node.
void	mpi_place_new_particle (int node, int id, double pos[3])
	Issue REQ_PLACE: create particle at a position on a node.
void	mpi_send_v (int node, int part, double v[3])
	Issue REQ_SET_V: send particle velocity.
void	mpi_send_f (int node, int part, double F[3])
	Issue REQ_SET_F: send particle force.
void	mpi_send_mass (int node, int part, double mass)
	Issue REQ_SET_M: send particle mass.
void	mpi_send_q (int node, int part, double q)
	Issue REQ_SET_Q: send particle charge.
void	mpi_send_mu_E (int node, int part, double mu_E[3])
	Issue REQ_SET_MU_E: send particle electrophoretic mobility.
void	mpi_send_rotational_inertia (int node, int part, double rinertia[3])
	Issue REQ_SET_ROTATIONAL_INERTIA: send particle rotational inertia.
void	mpi_send_quat (int node, int part, double quat[4])
	Issue REQ_SET_QUAT: send particle orientation.
void	mpi_send_rotation (int pnode, int part, int rot)
	Issue REQ_SET_ROTATION: send particle rotation flag Also calls on_particle_change.
void	mpi_send_omega (int node, int part, double omega[3])
void	mpi_send_torque (int node, int part, double torque[3])
	Issue REQ_SET_TORQUE: send particle torque.
void	mpi_send_dip (int node, int part, double dip[3])
	Issue REQ_SET_DIP: send particle dipole orientation.
void	mpi_send_dipm (int node, int part, double dipm)
	Issue REQ_SET_DIPM: send particle dipole moment.
void	mpi_send_virtual (int node, int part, int isVirtual)
	Issue REQ_SET_DIPM: send particle dipole moment.
void	mpi_send_vs_relative (int node, int part, int vs_relative_to, double vs_distance)
void	mpi_send_type (int node, int part, int type)
	Issue REQ_SET_TYPE: send particle type.
void	mpi_send_mol_id (int node, int part, int mid)
	Issue REQ_SET_MOL_ID: send molecule id.
int	mpi_send_bond (int pnode, int part, int *bond, int delete)
	Issue REQ_SET_BOND: send bond.
void	mpi_send_exclusion (int part, int part2, int delete)
	Issue REQ_SET_EXCLUSION: send exclusions.
void	mpi_remove_particle (int node, int id)
	Issue REQ_REM_PART: remove a particle.
void	mpi_recv_part (int node, int part, Particle *part_data)
	Issue REQ_GET_PART: recv particle data.
int	mpi_integrate (int n_steps)
	Issue REQ_INTEGRATE: start integrator.
void	mpi_bcast_ia_params (int i, int j)
	Issue REQ_BCAST_IA: send new ia params.
void	mpi_bcast_tf_params (int i)
void	mpi_bcast_n_particle_types (int s)
	Issue REQ_BCAST_IA_SIZE: send new size of ia_params.
void	mpi_gather_stats (int job, void result, void result_t, void result_nb, void result_t_nb)
	Issue REQ_GATHER: gather data for analysis in analyze.
void	mpi_local_stress_tensor (DoubleList *TensorInBin, int bins[3], int periodic[3], double range_start[3], double range[3])
	Issue GET_LOCAL_STRESS_TENSOR: gather the contribution to the local stress tensors from each node.
void	mpi_get_particles (Particle result, IntList il)
	Issue REQ_GETPARTS: gather all particle informations (except bonds).
void	mpi_set_time_step (double time_step)
	Issue REQ_SET_TIME_STEP: send new time_step and rescale the velocities accordingly.
void	mpi_bcast_coulomb_params ()
	Issue REQ_BCAST_COULOMB: send new coulomb parameters.
void	mpi_send_ext_force (int pnode, int part, int flag, int mask, double force[3])
	Issue REQ_SEND_EXT_FORCE: send nex external flag and external force.
void	mpi_send_ext_torque (int pnode, int part, int flag, int mask, double torque[3])
	Issue REQ_SEND_EXT_TORQUE: send nex external flag and external torque.
void	mpi_set_particle_temperature (int pnode, int part, double _T)
	Issue REQ_SEND_PARTICLE_T: send particle type specific temperature.
void	mpi_set_particle_gamma (int pnode, int part, double gamma)
	Issue REQ_SEND_PARTICLE_T: send particle type specific frictional coefficient.
void	mpi_bcast_constraint (int del_num)
	Issue REQ_BCAST_COULOMB: send new coulomb parameters.
void	mpi_bcast_lbboundary (int del_num)
	Issue REQ_LB_BOUNDARY: set up walls for lb fluid.
void	mpi_random_seed (int cnt, long *seed)
	Issue REQ_RANDOM_SEED: read/set seed of random number generators on each node.
void	mpi_random_stat (int cnt, RandomStatus *stat)
	Issue REQ_RANDOM_STAT: read/set status of random number generators on each node.
void	mpi_cap_forces (double force_cap)
	Issue REQ_BCAST_LJFORCECAP: initialize LJ force capping.
void	mpi_get_constraint_force (int constraint, double force[3])
	Issue REQ_BCAST_MORSEFORCECAP: initialize Morse force capping.
void	mpi_bit_random_seed (int cnt, int *seed)
	Issue REQ_BIT_RANDOM_SEED: read/set seed of the bit random number generators on each node.
void	mpi_bit_random_stat (int cnt, BitRandomStatus *stat)
	Issue REQ_BIT_RANDOM_STAT: read/set status of the bit random number generators on each node.
void	mpi_rescale_particles (int dir, double scale)
	Issue REQ_RESCALE_PART: rescales all particle positions in direction 'dir' by a factor 'scale'.
void	mpi_bcast_cell_structure (int cs)
	Issue REQ_BCAST_CS: change the cell structure on all nodes.
void	mpi_bcast_nptiso_geom (void)
	Issue REQ_BCAST_NPTISO_GEOM: broadcast nptiso geometry parameter to all nodes.
void	mpi_update_mol_ids (void)
	Issue REQ_BCAST_LJANGLEFORCECAP: initialize LJANGLE force capping.
int	mpi_sync_topo_part_info (void)
	Issue REQ_SYNC_TOPO: Update the molecules ids to that they correspond to the topology.
void	mpi_bcast_lb_params (int field)
	Issue REQ_BCAST_LBPAR: Broadcast a parameter for Lattice Boltzmann.
void	mpi_send_fluid (int node, int index, double rho, double j, double pi)
	Issue REQ_SEND_FLUID: Send a single lattice site to a processor.
void	mpi_recv_fluid (int node, int index, double rho, double j, double *pi)
	Issue REQ_GET_FLUID: Receive a single lattice site from a processor.
void	mpi_recv_fluid_boundary_flag (int node, int index, int *boundary)
	Issue REQ_LB_GET_BOUNDARY_FLAG: Receive a single lattice sites boundary flag from a processor.
int	mpi_iccp3m_iteration (int dummy)
	Issue REQ_ICCP3M_ITERATION: performs iccp3m iteration.
int	mpi_iccp3m_init (int dummy)
	Issue REQ_ICCP3M_INIT: performs iccp3m initialization.
void	mpi_recv_fluid_populations (int node, int index, double *pop)
	Issue REQ_RECV_FLUID_POPULATIONS: Send a single lattice site to a processor.
void	mpi_send_fluid_populations (int node, int index, double *pop)
	Issue REQ_SEND_FLUID_POPULATIONS: Send a single lattice site to a processor.
void	mpi_bcast_max_mu ()
	Part of MDLC.
int	mpi_gather_runtime_errors (char **errors)
	Issue REQ_GET_ERRS: gather all error messages from all nodes and return them.
void	mpi_kill_particle_motion (int rotation)
	Galilei and other: set all particle velocities and rotational inertias to zero.
void	mpi_kill_particle_forces (int torque)
void	mpi_system_CMS ()
void	mpi_system_CMS_velocity ()
void	mpi_galilei_transform ()
void	mpi_setup_reaction ()
	Issue REQ_CATALYTIC_REACTIONS: notify the system of changes to the reaction parameters.
Variables
MPI_Comm	comm_cart
Exported Variables
int	this_node
	The number of this node.
int	n_nodes
	The total number of nodes.

Detailed Description

This file contains the asynchronous MPI communication.

It is the header file for communication.c.

The asynchronous MPI communication is used during the script evaluation. Except for the master node that interpretes the Tcl script, all other nodes wait in mpi_loop() for the master node to issue an action using mpi_call(). mpi_loop immediately executes an MPI_Bcast and therefore waits for the master node to broadcast a command, which is done by mpi_call(). The request consists of three integers, the first one describing the action issued, the second and third an arbitrary parameter depending on the action issued. If applicable, the second parameter is the node number of the slave this request is dedicated to.

To add new actions (e. g. to implement new Tcl commands), do the following:

write the mpi_* function that is executed on the master
write the mpi_*_slave function
Add your slave function to CALLBACK_LIST in communication.c

After this your procedure is free to do anything. However, it has to be in (MPI) sync with what your new mpi_*_slave does. This procedure is called immediately after the broadcast with the arbitrary integer as parameter. To this aim it has also to be added to callbacks. Last but not least for debugging purposes you can add a nice name to names in the same way.

Definition in file communication.h.

Define Documentation

#define CHECK_PARTICLES 2

Definition at line 560 of file communication.h.

Referenced by mpi_bcast_event_slave(), and tclcommand_part_parse_cmd().

#define INVALIDATE_SYSTEM 1

Definition at line 559 of file communication.h.

Referenced by mpi_bcast_event_slave(), tclcommand_invalidate_system(), and time_force_calc().

#define MAGGS_COUNT_CHARGES 3

Definition at line 561 of file communication.h.

Referenced by mpi_bcast_event_slave().

#define P3M_COUNT_CHARGES 0

Definition at line 558 of file communication.h.

Referenced by mpi_bcast_event_slave(), and p3m_adaptive_tune().

#define P3M_COUNT_DIPOLES 5

Definition at line 562 of file communication.h.

Referenced by dp3m_adaptive_tune(), and mpi_bcast_event_slave().

Function Documentation

void mpi_bcast_cell_structure ( int cs )

Issue REQ_BCAST_CS: change the cell structure on all nodes.

Definition at line 2233 of file communication.c.

References cells_re_init(), mpi_bcast_cell_structure_slave(), and mpi_call().

Referenced by tclcommand_cellsystem().

void mpi_bcast_constraint ( int del_num )

Issue REQ_BCAST_COULOMB: send new coulomb parameters.

Definition at line 1919 of file communication.c.

References comm_cart, constraints, MPI_Bcast(), mpi_bcast_constraint_slave(), MPI_BYTE, mpi_call(), n_constraints, on_constraint_change(), and realloc.

Referenced by tclcommand_constraint().

void mpi_bcast_coulomb_params ( )

Issue REQ_BCAST_COULOMB: send new coulomb parameters.

Definition at line 1742 of file communication.c.

References mpi_bcast_coulomb_params_slave(), and mpi_call().

Referenced by coulomb_set_bjerrum(), dawaanr_set_params(), dh_set_params(), dipolar_set_Dbjerrum(), dp3m_adaptive_tune(), dp3m_mcr_time(), dp3m_set_eps(), dp3m_set_mesh_offset(), dp3m_set_ninterpol(), dp3m_set_params(), ELC_set_params(), maggs_set_parameters(), mdds_set_params(), mdlc_set_params(), MMM1D_set_params(), mmm1d_tune(), MMM2D_set_params(), p3m_adaptive_tune(), p3m_mcr_time(), p3m_set_eps(), p3m_set_mesh_offset(), p3m_set_ninterpol(), p3m_set_params(), rf_set_params(), tclcommand_inter_parse_coulomb(), and tclcommand_inter_parse_magnetic().

void mpi_bcast_event ( int event )

Issue REQ_EVENT: tells all clients of some system change.

The events are:

PARTICLE_CHANGED
INTERACTION_CHANGED

Then all nodes execute the respective on_* procedure from initialize.c Note that not all of these codes are used. Since some actions (like placing a particle) include communication anyways, this is handled by the way.

Definition at line 373 of file communication.c.

References mpi_bcast_event_slave(), and mpi_call().

Referenced by dp3m_adaptive_tune(), p3m_adaptive_tune(), tclcommand_invalidate_system(), tclcommand_part_parse_cmd(), and time_force_calc().

void mpi_bcast_ia_params	(	int	i,
		int	j
	)

Issue REQ_BCAST_IA: send new ia params.

Also calls on_short_range_ia_change.

mpi_bcast_ia_params is used for both, bonded and non-bonded interaction parameters. Therefor i and j are used depending on their value:

Parameters:

i	particle type for non bonded interaction parameters / bonded interaction type number.
j	if not negative: particle type for non bonded interaction parameters / if negative: flag for bonded interaction

Definition at line 1156 of file communication.c.

References BONDED_IA_OVERLAPPED, bonded_ia_params, BONDED_IA_TABULATED, comm_cart, copy_ia_params(), DoubleList::e, get_ia_param(), i, DoubleList::max, MPI_Bcast(), mpi_bcast_ia_params_slave(), MPI_BYTE, mpi_call(), MPI_DOUBLE, MPI_INT, on_short_range_ia_change(), Bonded_ia_parameters::overlap, Bonded_ia_parameters::p, Bonded_ia_parameters::tab, tabulated_energies, and tabulated_forces.

Referenced by angle_cosine_set_params(), angle_cossquare_set_params(), angle_harmonic_set_params(), angle_set_params(), angledist_set_params(), area_force_global_set_params(), area_force_local_set_params(), bending_force_set_params(), BMHTF_set_params(), buckingham_set_params(), comfixed_set_params(), comforce_set_params(), dihedral_set_params(), endangledist_set_params(), fene_set_params(), gaussian_set_params(), gay_berne_set_params(), harmonic_set_params(), hat_set_params(), hertzian_set_params(), inter_dpd_set_params(), interrf_set_params(), lennard_jones_set_params(), lj_cos_set_params(), ljangle_set_params(), ljcos2_set_params(), ljgen_set_params(), local_setup_reaction(), molcut_set_params(), morse_set_params(), overlapped_bonded_set_params(), rigid_bond_set_params(), smooth_step_set_params(), soft_sphere_set_params(), stretching_force_set_params(), subt_lj_set_params(), tabulated_bonded_set_params(), tabulated_set_params(), tunable_slip_set_params(), virtual_set_params(), and volume_force_set_params().

void mpi_bcast_lb_params ( int field )

Issue REQ_BCAST_LBPAR: Broadcast a parameter for Lattice Boltzmann.

Parameters:

field References the parameter field to be broadcasted. The references are defined in lb.h

Definition at line 2361 of file communication.c.

References mpi_bcast_lb_params_slave(), and mpi_call().

Referenced by lb_lbfluid_load_checkpoint(), lb_lbfluid_set_agrid(), lb_lbfluid_set_bulk_visc(), lb_lbfluid_set_density(), lb_lbfluid_set_ext_force(), lb_lbfluid_set_friction(), lb_lbfluid_set_gamma_even(), lb_lbfluid_set_gamma_odd(), lb_lbfluid_set_tau(), and lb_lbfluid_set_visc().

void mpi_bcast_lbboundary ( int del_num )

Issue REQ_LB_BOUNDARY: set up walls for lb fluid.

Definition at line 1967 of file communication.c.

References comm_cart, lb_boundaries, MPI_Bcast(), mpi_bcast_lbboundary_slave(), MPI_BYTE, mpi_call(), n_lb_boundaries, on_lbboundary_change(), and realloc.

Referenced by tclcommand_lbboundary().

void mpi_bcast_max_mu ( )

Part of MDLC.

Definition at line 2638 of file communication.c.

References calc_mu_max(), mpi_bcast_max_mu_slave(), and mpi_call().

Referenced by mdlc_tune().

void mpi_bcast_n_particle_types ( int s )

Issue REQ_BCAST_IA_SIZE: send new size of ia_params.

Parameters:

s	the new size for ia_params.

Definition at line 1351 of file communication.c.

References mpi_bcast_n_particle_types_slave(), and mpi_call().

Referenced by make_particle_type_exist().

void mpi_bcast_nptiso_geom ( void )

Issue REQ_BCAST_NPTISO_GEOM: broadcast nptiso geometry parameter to all nodes.

Definition at line 2246 of file communication.c.

References mpi_bcast_nptiso_geom_slave(), and mpi_call().

Referenced by tclcommand_integrate_set_npt_isotropic().

int mpi_bcast_parameter ( int i )

Issue REQ_BCAST_PAR: broadcast a parameter from datafield.

Parameters:

i	the number from global.h referencing the datafield.

Returns:: nonzero on error

Definition at line 287 of file communication.c.

References check_runtime_errors(), common_bcast_parameter(), mpi_bcast_parameter_slave(), and mpi_call().

Referenced by dpd_switch_off(), ghmc_mc(), remove_particle(), rescale_boxl(), rigid_bond_set_params(), tclcallback_box_l(), tclcallback_max_num_cells(), tclcallback_min_global_cut(), tclcallback_min_num_cells(), tclcallback_node_grid(), tclcallback_npt_p_diff(), tclcallback_npt_piston(), tclcallback_p_ext(), tclcallback_periodicity(), tclcallback_skin(), tclcallback_time(), tclcommand_adress_parse_set(), tclcommand_cellsystem(), tclcommand_integrate_set_npt_isotropic(), tclcommand_integrate_set_nvt(), tclcommand_lbfluid(), tclcommand_thermostat_parse_dpd(), tclcommand_thermostat_parse_ghmc(), tclcommand_thermostat_parse_inter_dpd(), tclcommand_thermostat_parse_langevin(), tclcommand_thermostat_parse_lb(), tclcommand_thermostat_parse_npt_isotropic(), and tclcommand_thermostat_parse_off().

void mpi_bcast_tf_params ( int i )

Definition at line 1297 of file communication.c.

References comm_cart, DoubleList::e, get_tf_param(), DoubleList::max, MPI_Barrier(), MPI_Bcast(), mpi_bcast_tf_params_slave(), MPI_BYTE, mpi_call(), MPI_DOUBLE, MPI_INT, thermodynamic_f_energies, and thermodynamic_forces.

Referenced by tf_set_params().

void mpi_bit_random_seed	(	int	cnt,
		int *	seed
	)

Issue REQ_BIT_RANDOM_SEED: read/set seed of the bit random number generators on each node.

Definition at line 2152 of file communication.c.

References comm_cart, init_bit_random_generator(), mpi_bit_random_seed_slave(), mpi_call(), MPI_Gather(), MPI_INT, MPI_Scatter(), print_bit_random_seed(), RANDOM_TRACE, and this_node.

Referenced by tclcommand_bit_random().

void mpi_bit_random_stat	(	int	cnt,
		BitRandomStatus *	stat
	)

Issue REQ_BIT_RANDOM_STAT: read/set status of the bit random number generators on each node.

Definition at line 2181 of file communication.c.

References comm_cart, init_bit_random_stat(), mpi_bit_random_stat_slave(), MPI_BYTE, mpi_call(), MPI_Gather(), MPI_Scatter(), print_bit_random_stat(), BitRandomStatus::random_pointer_1, BitRandomStatus::random_pointer_2, RANDOM_TRACE, and this_node.

Referenced by tclcommand_bit_random().

void mpi_cap_forces ( double force_cap )

Issue REQ_BCAST_LJFORCECAP: initialize LJ force capping.

Definition at line 2090 of file communication.c.

References force_cap, mpi_call(), and mpi_cap_forces_slave().

Referenced by buckingham_set_params(), forcecap_set_params(), lennard_jones_set_params(), ljangle_set_params(), ljcos2_set_params(), ljforcecap_set_params(), ljgen_set_params(), morse_set_params(), and tabulated_set_params().

void mpi_finalize ( )

Finalize MPI.

Called by all nodes upon exit

void mpi_galilei_transform ( )

Definition at line 2835 of file communication.c.

References galilei_struct::cms_vel, comm_cart, gal, local_galilei_transform(), MPI_Bcast(), mpi_call(), MPI_DOUBLE, mpi_galilei_transform_slave(), mpi_system_CMS_velocity(), and on_particle_change().

Referenced by tclcommand_galilei_transform().

int mpi_gather_runtime_errors ( char ** errors )

Issue REQ_GET_ERRS: gather all error messages from all nodes and return them.

Parameters:

errors contains the errors from all nodes. This has to point to an array of character pointers, one for each node.

Returns:: ES_OK if no error occured, otherwise ES_ERROR

Definition at line 2377 of file communication.c.

References check_runtime_errors(), comm_cart, error_msg, ES_ERROR, ES_OK, free, malloc, mpi_call(), MPI_CHAR, MPI_Gather(), mpi_gather_runtime_errors_slave(), MPI_INT, MPI_Recv(), MPI_STATUS_IGNORE, n_error_msg, n_nodes, and realloc.

Referenced by gather_runtime_errors().

void mpi_gather_stats	(	int	job,
		void *	result,
		void *	result_t,
		void *	result_nb,
		void *	result_t_nb
	)

Issue REQ_GATHER: gather data for analysis in analyze.

Parameters:

job	what to do: 1 calculate and reduce (sum up) energies, using energy_calc. 2 calculate and reduce (sum up) pressure, stress tensor, using pressure_calc. 3 calculate and reduce (sum up) instantaneous pressure, using pressure_calc.
result	where to store the gathered value(s): job=1 unused (the results are stored in a global energy array of type Observable_stat) job=2 unused (the results are stored in a global virials array of type Observable_stat) job=3 unused (the results are stored in a global virials array of type Observable_stat)
result_t	where to store the gathered value(s): job=1 unused (the results are stored in a global energy array of type Observable_stat) job=2 unused (the results are stored in a global p_tensor tensor of type Observable_stat) job=3 unused (the results are stored in a global p_tensor tensor of type Observable_stat)
result_nb	where to store the gathered value(s): job=1 unused (the results are stored in a global energy array of type Observable_stat_non_bonded) job=2 unused (the results are stored in a global virials_non_bonded array of type Observable_stat_non_bonded) job=3 unused (the results are stored in a global virials_non_bonded array of type Observable_stat_non_bonded)
result_t_nb	where to store the gathered value(s): job=1 unused (the results are stored in a global energy array of type Observable_stat_non_bonded) job=2 unused (the results are stored in a global p_tensor_non_bonded tensor of type Observable_stat_non_bonded) job=3 unused (the results are stored in a global p_tensor_non_bonded tensor of type Observable_stat_non_bonded)

Definition at line 1369 of file communication.c.

References energy_calc(), errexit(), lb_calc_fluid_mass(), lb_calc_fluid_momentum(), lb_calc_fluid_temp(), lb_collect_boundary_forces(), mpi_call(), mpi_gather_stats_slave(), predict_momentum_particles(), pressure_calc(), and this_node.

Referenced by lb_master_calc_densprof(), lb_master_calc_velprof(), lbboundary_get_force(), master_energy_calc(), master_pressure_calc(), momentum_calc(), tclcommand_analyze_fluid_parse_mass(), tclcommand_analyze_fluid_parse_momentum(), tclcommand_analyze_fluid_parse_temp(), and tclcommand_analyze_parse_and_print_momentum().

void mpi_get_constraint_force	(	int	constraint,
		double	force[3]
	)

Issue REQ_BCAST_MORSEFORCECAP: initialize Morse force capping.

Issue REQ_BCAST_BUCKFORCECAP: initialize Buckingham force capping. Issue REQ_BCAST_TABFORCECAP: initialize tabulated force capping. Issue REQ_GET_CONSFOR: get force acting on constraint

Definition at line 2136 of file communication.c.

References comm_cart, constraints, mpi_call(), MPI_DOUBLE, mpi_get_constraint_force_slave(), MPI_Reduce(), and MPI_SUM.

Referenced by tclprint_to_result_ConstraintForce().

void mpi_get_particles	(	Particle *	result,
		IntList *	il
	)

Issue REQ_GETPARTS: gather all particle informations (except bonds).

This is slow and may use huge amounts of memory. If il is non-NULL, also the bonding information is also fetched and stored in a single intlist pointed to by il. The particles bonding information references this array, which is the only data you have to free later (besides the result array you allocated). YOU MUST NOT CALL free_particle on any of these particles!

Parameters:

result	where to store the gathered particles
il	if non-NULL, the integerlist where to store the bonding info

Definition at line 1530 of file communication.c.

References Particle::bl, CellPList::cell, cells_get_n_particles(), comm_cart, COMM_TRACE, ParticlePosition::dip, IntList::e, errexit(), i, init_intlist(), local_cells, malloc, MPI_BYTE, mpi_call(), MPI_Gather(), mpi_get_particles_slave(), MPI_INT, MPI_Recv(), MPI_STATUS_IGNORE, IntList::n, CellPList::n, ParticleList::n, n_nodes, n_total_particles, ParticlePosition::p, Particle::p, part, ParticleList::part, ParticleProperties::q, Particle::r, realloc_intlist(), SOME_TAG, this_node, and ParticleProperties::type.

Referenced by collectBonds(), mindist3(), mindist4(), and updatePartCfg().

int mpi_iccp3m_init ( int dummy )

Issue REQ_ICCP3M_INIT: performs iccp3m initialization.

Returns:: nonzero on error

Definition at line 2556 of file communication.c.

References bcast_iccp3m_cfg(), check_runtime_errors(), COMM_TRACE, mpi_call(), mpi_iccp3m_init_slave(), and this_node.

Referenced by tclcommand_iccp3m().

int mpi_iccp3m_iteration ( int dummy )

Issue REQ_ICCP3M_ITERATION: performs iccp3m iteration.

Returns:: nonzero on error

Definition at line 2529 of file communication.c.

References check_runtime_errors(), COMM_TRACE, iccp3m_iteration(), mpi_call(), mpi_iccp3m_iteration_slave(), and this_node.

Referenced by tclcommand_iccp3m().

void mpi_init	(	int *	argc,
		char ***	argv
	)

Initialize MPI and determine n_nodes and this_node.

Definition at line 188 of file communication.c.

References comm_cart, MPI_Cart_coords(), MPI_Cart_create(), MPI_Comm_rank(), MPI_Comm_size(), MPI_COMM_WORLD, mpi_core(), MPI_Dims_create(), MPI_Errhandler_create(), MPI_Errhandler_set(), MPI_Init(), n_nodes, node_grid, node_pos, periodic, and this_node.

Referenced by main().

int mpi_integrate ( int n_steps )

Issue REQ_INTEGRATE: start integrator.

Parameters:

n_steps how many steps to do.

Returns:: nonzero on error

Definition at line 1136 of file communication.c.

References check_runtime_errors(), COMM_TRACE, integrate_vv(), mpi_call(), mpi_integrate_slave(), and this_node.

Referenced by tclcommand_integrate(), and time_force_calc().

void mpi_kill_particle_forces ( int torque )

Definition at line 2740 of file communication.c.

References local_kill_particle_forces(), mpi_call(), mpi_kill_particle_forces_slave(), and on_particle_change().

Referenced by tclcommand_kill_particle_forces().

void mpi_kill_particle_motion ( int rotation )

Galilei and other: set all particle velocities and rotational inertias to zero.

set all forces and torques on the particles to zero calculate the centre of mass (CMS) calculate the velocity of the CMS remove the CMS velocity from the system

Definition at line 2727 of file communication.c.

References local_kill_particle_motion(), mpi_call(), mpi_kill_particle_motion_slave(), and on_particle_change().

Referenced by tclcommand_kill_particle_motion().

void mpi_local_stress_tensor	(	DoubleList *	TensorInBin,
		int	bins[3],
		int	periodic[3],
		double	range_start[3],
		double	range[3]
	)

Issue GET_LOCAL_STRESS_TENSOR: gather the contribution to the local stress tensors from each node.

Definition at line 1456 of file communication.c.

References alloc_doublelist(), comm_cart, DoubleList::e, i, init_doublelist(), local_stress_tensor_calc(), malloc, MPI_Bcast(), mpi_call(), MPI_DOUBLE, MPI_INT, mpi_local_stress_tensor_slave(), MPI_Reduce(), MPI_SUM, PTENSOR_TRACE, and this_node.

Referenced by tclcommand_analyze_parse_local_stress_tensor().

void mpi_loop ( )

Process requests from master node.

Slave nodes main loop.

Definition at line 2878 of file communication.c.

References comm_cart, COMM_TRACE, errexit(), MPI_Barrier(), MPI_Bcast(), MPI_INT, N_CALLBACKS, slave_callbacks, and this_node.

Referenced by main().

void mpi_place_new_particle	(	int	node,
		int	id,
		double	pos[3]
	)

Issue REQ_PLACE: create particle at a position on a node.

Also calls on_particle_change.

Parameters:

id	the particle to create.
node	the node to attach it to.
pos	the particles position.

Definition at line 437 of file communication.c.

References added_particle(), comm_cart, local_place_particle(), mpi_call(), MPI_DOUBLE, mpi_place_new_particle_slave(), MPI_Send(), on_particle_change(), SOME_TAG, and this_node.

Referenced by place_particle().

void mpi_place_particle	(	int	node,
		int	id,
		double	pos[3]
	)

Issue REQ_PLACE: move particle to a position on a node.

Also calls on_particle_change.

Parameters:

id	the particle to move.
node	the node to attach it to.
pos	the particles position.

Definition at line 413 of file communication.c.

References comm_cart, local_place_particle(), mpi_call(), MPI_DOUBLE, mpi_place_particle_slave(), MPI_Send(), on_particle_change(), SOME_TAG, and this_node.

Referenced by place_particle().

void mpi_random_seed	(	int	cnt,
		long *	seed
	)

Issue REQ_RANDOM_SEED: read/set seed of random number generators on each node.

Definition at line 2028 of file communication.c.

References comm_cart, init_random_seed(), mpi_call(), MPI_Gather(), MPI_LONG, mpi_random_seed_slave(), MPI_Scatter(), print_random_seed(), RANDOM_TRACE, and this_node.

Referenced by tclcommand_t_random().

void mpi_random_stat	(	int	cnt,
		RandomStatus *	stat
	)

Issue REQ_RANDOM_STAT: read/set status of random number generators on each node.

Definition at line 2057 of file communication.c.

References comm_cart, RandomStatus::idum, init_random_stat(), RandomStatus::iy, MPI_BYTE, mpi_call(), MPI_Gather(), mpi_random_stat_slave(), MPI_Scatter(), print_random_stat(), RANDOM_TRACE, and this_node.

Referenced by tclcommand_t_random().

void mpi_recv_fluid	(	int	node,
		int	index,
		double *	rho,
		double *	j,
		double *	pi
	)

Issue REQ_GET_FLUID: Receive a single lattice site from a processor.

Parameters:

node	processor to send to
index	index of the lattice site
rho	local fluid density
j	local fluid velocity
pi	local fluid pressure

Definition at line 2471 of file communication.c.

References comm_cart, lb_calc_local_fields(), mpi_call(), MPI_DOUBLE, MPI_Recv(), mpi_recv_fluid_slave(), MPI_STATUS_IGNORE, SOME_TAG, and this_node.

Referenced by lb_lbnode_get_pi_neq(), lb_lbnode_get_rho(), lb_lbnode_get_u(), lb_lbnode_set_rho(), and lb_lbnode_set_u().

void mpi_recv_fluid_boundary_flag	(	int	node,
		int	index,
		int *	boundary
	)

Issue REQ_LB_GET_BOUNDARY_FLAG: Receive a single lattice sites boundary flag from a processor.

Parameters:

node	processor to send to
index	index of the lattice site
boundary	local boundary flag

Definition at line 2505 of file communication.c.

References comm_cart, lb_local_fields_get_boundary_flag(), mpi_call(), MPI_INT, MPI_Recv(), mpi_recv_fluid_boundary_flag_slave(), MPI_STATUS_IGNORE, SOME_TAG, and this_node.

Referenced by lb_lbnode_get_boundary().

void mpi_recv_fluid_populations	(	int	node,
		int	index,
		double *	pop
	)

Issue REQ_RECV_FLUID_POPULATIONS: Send a single lattice site to a processor.

Parameters:

node	processor to send to
index	index of the lattice site
pop	local fluid population

Definition at line 2592 of file communication.c.

References comm_cart, lb_get_populations(), lbpar, mpi_call(), MPI_DOUBLE, MPI_Recv(), mpi_recv_fluid_populations_slave(), MPI_STATUS_IGNORE, LB_Parameters::resend_halo, SOME_TAG, and this_node.

Referenced by lb_lbnode_get_pop().

void mpi_recv_part	(	int	node,
		int	part,
		Particle *	part_data
	)

Issue REQ_GET_PART: recv particle data.

The data has to be freed later using free_particle, otherwise the dynamically allocated parts, bonds and exclusions are left over.

Parameters:

part	the particle.
node	the node it is attached to.
part_data	where to store the received data.

Note:: Gets a copy of the particle data not a pointer to the actual particle used in integration

Definition at line 1046 of file communication.c.

References alloc_intlist(), Particle::bl, comm_cart, IntList::e, Particle::el, local_particles, IntList::max, MPI_BYTE, mpi_call(), MPI_INT, MPI_Recv(), mpi_recv_part_slave(), MPI_STATUS_IGNORE, IntList::n, SOME_TAG, and this_node.

Referenced by get_particle_data().

void mpi_remove_particle	(	int	node,
		int	id
	)

Issue REQ_REM_PART: remove a particle.

Also calls on_particle_change.

Parameters:

id	the particle to remove.
node	the node it is attached to.

Definition at line 1113 of file communication.c.

References mpi_call(), and mpi_remove_particle_slave().

Referenced by remove_all_particles(), and remove_particle().

void mpi_rescale_particles	(	int	dir,
		double	scale
	)

Issue REQ_RESCALE_PART: rescales all particle positions in direction 'dir' by a factor 'scale'.

Definition at line 2211 of file communication.c.

References comm_cart, local_rescale_particles(), mpi_call(), MPI_DOUBLE, mpi_rescale_particles_slave(), MPI_Send(), n_nodes, on_particle_change(), SOME_TAG, and this_node.

Referenced by rescale_boxl().

int mpi_send_bond	(	int	pnode,
		int	part,
		int *	bond,
		int	delete
	)

Issue REQ_SET_BOND: send bond.

Also calls on_particle_change.

Parameters:

pnode	node it is attached to.
part	identity of principal atom of the bond.
bond	field containing the bond type number and the identity of all bond partners (secundary atoms of the bond).
delete	if true, do not add the bond, rather delete it if found

Returns:: 1 on success or 0 if not (e. g. bond to delete does not exist)

Definition at line 1000 of file communication.c.

References bonded_ia_params, comm_cart, local_change_bond(), mpi_call(), MPI_INT, MPI_Recv(), MPI_Send(), mpi_send_bond_slave(), MPI_STATUS_IGNORE, on_particle_change(), SOME_TAG, and this_node.

Referenced by change_particle_bond().

void mpi_send_dip	(	int	node,
		int	part,
		double	dip[3]
	)

Issue REQ_SET_DIP: send particle dipole orientation.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
dip	its new dipole orientation.

Definition at line 812 of file communication.c.

References comm_cart, convert_dip_to_quat(), convert_quat_to_quatu(), ParticlePosition::dip, ParticleProperties::dipm, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_dip_slave(), on_particle_change(), Particle::p, part, ParticlePosition::quat, ParticlePosition::quatu, Particle::r, SOME_TAG, and this_node.

Referenced by set_particle_dip().

void mpi_send_dipm	(	int	node,
		int	part,
		double	dipm
	)

Issue REQ_SET_DIPM: send particle dipole moment.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
dipm	its new dipole moment (absolut value).

Definition at line 858 of file communication.c.

References comm_cart, convert_quatu_to_dip(), ParticlePosition::dip, ParticleProperties::dipm, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_dipm_slave(), on_particle_change(), Particle::p, part, ParticlePosition::quatu, Particle::r, SOME_TAG, and this_node.

Referenced by set_particle_dipm().

void mpi_send_exclusion	(	int	part,
		int	part2,
		int	delete
	)

Issue REQ_SET_EXCLUSION: send exclusions.

Also calls on_particle_change.

Parameters:

part	identity of first particle of the exclusion.
part2	identity of secnd particle of the exclusion.
delete	if true, do not add the exclusion, rather delete it if found

Definition at line 2425 of file communication.c.

References comm_cart, local_change_exclusion(), MPI_Bcast(), mpi_call(), MPI_INT, mpi_send_exclusion_slave(), and on_particle_change().

Referenced by change_exclusion(), and remove_all_exclusions().

void mpi_send_ext_force	(	int	pnode,
		int	part,
		int	flag,
		int	mask,
		double	force[3]
	)

Issue REQ_SEND_EXT_FORCE: send nex external flag and external force.

Definition at line 1872 of file communication.c.

References comm_cart, ParticleLocal::ext_flag, ParticleLocal::ext_force, Particle::l, local_particles, mpi_call(), MPI_DOUBLE, MPI_INT, MPI_Send(), mpi_send_ext_force_slave(), on_particle_change(), part, PARTICLE_EXT_FORCE, SOME_TAG, and this_node.

Referenced by set_particle_ext_force(), and set_particle_fix().

void mpi_send_ext_torque	(	int	pnode,
		int	part,
		int	flag,
		int	mask,
		double	torque[3]
	)

Issue REQ_SEND_EXT_TORQUE: send nex external flag and external torque.

Definition at line 1821 of file communication.c.

References comm_cart, ParticleLocal::ext_flag, ParticleLocal::ext_torque, Particle::l, local_particles, mpi_call(), MPI_DOUBLE, MPI_INT, MPI_Send(), mpi_send_ext_torque_slave(), on_particle_change(), part, PARTICLE_EXT_TORQUE, SOME_TAG, and this_node.

Referenced by set_particle_ext_torque().

void mpi_send_f	(	int	node,
		int	part,
		double	F[3]
	)

Issue REQ_SET_F: send particle force.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
F	its new force.

Definition at line 492 of file communication.c.

References comm_cart, ParticleForce::f, Particle::f, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_f_slave(), on_particle_change(), part, SOME_TAG, and this_node.

Referenced by set_particle_f().

void mpi_send_fluid	(	int	node,
		int	index,
		double	rho,
		double *	j,
		double *	pi
	)

Issue REQ_SEND_FLUID: Send a single lattice site to a processor.

Parameters:

node	processor to send to
index	index of the lattice site
rho	local fluid density
j	local fluid velocity
pi	local fluid pressure

Definition at line 2447 of file communication.c.

References comm_cart, lb_calc_n_equilibrium(), mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_fluid_slave(), SOME_TAG, and this_node.

Referenced by lb_lbnode_set_rho(), and lb_lbnode_set_u().

void mpi_send_fluid_populations	(	int	node,
		int	index,
		double *	pop
	)

Issue REQ_SEND_FLUID_POPULATIONS: Send a single lattice site to a processor.

Parameters:

node	processor to send to
index	index of the lattice site
pop	local fluid population

Definition at line 2615 of file communication.c.

References comm_cart, lb_set_populations(), mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_fluid_populations_slave(), SOME_TAG, and this_node.

Referenced by lb_lbnode_set_pop().

void mpi_send_mass	(	int	node,
		int	part,
		double	mass
	)

Issue REQ_SET_M: send particle mass.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
mass	its new mass.

Definition at line 582 of file communication.c.

References comm_cart, local_particles, ParticleProperties::mass, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_mass_slave(), on_particle_change(), Particle::p, part, SOME_TAG, and this_node.

Referenced by set_particle_mass().

void mpi_send_mol_id	(	int	node,
		int	part,
		int	mid
	)

Issue REQ_SET_MOL_ID: send molecule id.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
mid	its new mol_id.

Definition at line 673 of file communication.c.

References comm_cart, local_particles, ParticleProperties::mol_id, mpi_call(), MPI_INT, MPI_Send(), mpi_send_mol_id_slave(), on_particle_change(), Particle::p, part, SOME_TAG, and this_node.

Referenced by set_particle_mol_id().

void mpi_send_mu_E	(	int	node,
		int	part,
		double	mu_E[3]
	)

Issue REQ_SET_MU_E: send particle electrophoretic mobility.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
mu_E	its new mobility.

Definition at line 549 of file communication.c.

References comm_cart, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_mu_E_slave(), ParticleProperties::mu_E, on_particle_change(), Particle::p, part, SOME_TAG, and this_node.

Referenced by set_particle_mu_E().

void mpi_send_omega	(	int	node,
		int	part,
		double	omega[3]
	)

Definition at line 743 of file communication.c.

References comm_cart, local_particles, Particle::m, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_omega_slave(), ParticleMomentum::omega, on_particle_change(), part, SOME_TAG, and this_node.

Referenced by set_particle_omega_body(), and set_particle_omega_lab().

void mpi_send_q	(	int	node,
		int	part,
		double	q
	)

Issue REQ_SET_Q: send particle charge.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
q	its new charge.

Definition at line 518 of file communication.c.

References comm_cart, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_q_slave(), on_particle_change(), Particle::p, part, ParticleProperties::q, SOME_TAG, and this_node.

Referenced by set_particle_q().

void mpi_send_quat	(	int	node,
		int	part,
		double	quat[4]
	)

Issue REQ_SET_QUAT: send particle orientation.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
quat	its new quaternions.

Definition at line 700 of file communication.c.

References comm_cart, convert_quat_to_quatu(), convert_quatu_to_dip(), ParticlePosition::dip, ParticleProperties::dipm, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_quat_slave(), on_particle_change(), Particle::p, part, ParticlePosition::quat, ParticlePosition::quatu, Particle::r, SOME_TAG, and this_node.

Referenced by set_particle_quat().

void mpi_send_rotation	(	int	pnode,
		int	part,
		int	rot
	)

Issue REQ_SET_ROTATION: send particle rotation flag Also calls on_particle_change.

Parameters:

part	the particle.
pnode	the node it is attached to.
rot	the rotation flag

Definition at line 966 of file communication.c.

References local_particles, mpi_call(), MPI_COMM_WORLD, MPI_INT, MPI_Send(), mpi_send_rotation_slave(), on_particle_change(), Particle::p, part, ParticleProperties::rotation, SOME_TAG, and this_node.

Referenced by set_particle_rotation().

void mpi_send_rotational_inertia	(	int	node,
		int	part,
		double	rinertia[3]
	)

Issue REQ_SET_ROTATIONAL_INERTIA: send particle rotational inertia.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
rinertia	its new rotational inertia.

Definition at line 614 of file communication.c.

References comm_cart, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_rotational_inertia_slave(), on_particle_change(), Particle::p, part, ParticleProperties::rinertia, SOME_TAG, and this_node.

Referenced by set_particle_rotational_inertia().

void mpi_send_torque	(	int	node,
		int	part,
		double	torque[3]
	)

Issue REQ_SET_TORQUE: send particle torque.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
torque	its new torque.

Definition at line 778 of file communication.c.

References comm_cart, Particle::f, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_torque_slave(), on_particle_change(), part, SOME_TAG, this_node, and ParticleForce::torque.

Referenced by set_particle_torque_body(), and set_particle_torque_lab().

void mpi_send_type	(	int	node,
		int	part,
		int	type
	)

Issue REQ_SET_TYPE: send particle type.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
type	its new type.

Definition at line 647 of file communication.c.

References comm_cart, local_particles, mpi_call(), MPI_INT, MPI_Send(), mpi_send_type_slave(), on_particle_change(), Particle::p, part, SOME_TAG, this_node, and ParticleProperties::type.

Referenced by set_particle_type().

void mpi_send_v	(	int	node,
		int	part,
		double	v[3]
	)

Issue REQ_SET_V: send particle velocity.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
v	its new velocity.

Definition at line 466 of file communication.c.

References comm_cart, local_particles, Particle::m, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_send_v_slave(), on_particle_change(), part, SOME_TAG, this_node, and ParticleMomentum::v.

Referenced by set_particle_v().

void mpi_send_virtual	(	int	node,
		int	part,
		int	isVirtual
	)

Issue REQ_SET_DIPM: send particle dipole moment.

Also calls on_particle_change.

Parameters:

part	the particle.
node	the node it is attached to.
isVirtual	its new isVirtual.

Definition at line 896 of file communication.c.

References comm_cart, ParticleProperties::isVirtual, local_particles, mpi_call(), MPI_INT, MPI_Send(), mpi_send_virtual_slave(), on_particle_change(), Particle::p, part, SOME_TAG, and this_node.

Referenced by set_particle_virtual().

void mpi_send_vs_relative	(	int	node,
		int	part,
		int	vs_relative_to,
		double	vs_distance
	)

Definition at line 928 of file communication.c.

References comm_cart, local_particles, mpi_call(), MPI_DOUBLE, MPI_INT, MPI_Send(), mpi_send_vs_relative_slave(), on_particle_change(), Particle::p, part, SOME_TAG, this_node, ParticleProperties::vs_relative_distance, and ParticleProperties::vs_relative_to_particle_id.

Referenced by set_particle_vs_relative().

void mpi_set_particle_gamma	(	int	pnode,
		int	part,
		double	gamma
	)

Issue REQ_SEND_PARTICLE_T: send particle type specific frictional coefficient.

Definition at line 2692 of file communication.c.

References comm_cart, ParticleProperties::gamma, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_set_particle_gamma_slave(), on_particle_change(), Particle::p, part, SOME_TAG, and this_node.

Referenced by set_particle_gamma().

void mpi_set_particle_temperature	(	int	pnode,
		int	part,
		double	_T
	)

Issue REQ_SEND_PARTICLE_T: send particle type specific temperature.

Definition at line 2658 of file communication.c.

References comm_cart, local_particles, mpi_call(), MPI_DOUBLE, MPI_Send(), mpi_set_particle_temperature_slave(), on_particle_change(), Particle::p, part, SOME_TAG, ParticleProperties::T, and this_node.

Referenced by set_particle_temperature().

void mpi_set_time_step ( double time_step )

Issue REQ_SET_TIME_STEP: send new time_step and rescale the velocities accordingly.

Definition at line 1711 of file communication.c.

References comm_cart, FIELD_TIMESTEP, MPI_Bcast(), mpi_call(), MPI_DOUBLE, mpi_set_time_step_slave(), on_parameter_change(), rescale_velocities(), time_step, time_step_half, time_step_squared, and time_step_squared_half.

Referenced by tclcallback_time_step().

void mpi_setup_reaction ( )

Issue REQ_CATALYTIC_REACTIONS: notify the system of changes to the reaction parameters.

Definition at line 2861 of file communication.c.

References local_setup_reaction(), mpi_call(), and mpi_setup_reaction_slave().

Referenced by tclcommand_reaction().

void mpi_stop ( )

Issue REQ_TERM: stop Espresso, all slave nodes exit.

Definition at line 242 of file communication.c.

References comm_cart, MPI_Barrier(), mpi_call(), MPI_Finalize(), mpi_stop_slave(), and regular_exit.

Referenced by on_program_start().

int mpi_sync_topo_part_info ( void )

Issue REQ_SYNC_TOPO: Update the molecules ids to that they correspond to the topology.

Definition at line 2276 of file communication.c.

References comm_cart, i, IsTrapped, MPI_Bcast(), mpi_call(), MPI_DOUBLE, MPI_INT, mpi_sync_topo_part_info_slave(), IntList::n, n_molecules, Molecule::part, part, sync_topo_part_info(), topology, and Molecule::type.

Referenced by tclcommand_analyze_set_parse_topo_part_sync().

void mpi_system_CMS ( )

Definition at line 2753 of file communication.c.

References galilei_struct::cms, comm_cart, gal, local_system_CMS(), MPI_ANY_SOURCE, mpi_call(), MPI_DOUBLE, MPI_Recv(), MPI_STATUS_IGNORE, mpi_system_CMS_slave(), n_nodes, SOME_TAG, and this_node.

Referenced by tclcommand_system_CMS().

void mpi_system_CMS_velocity ( )

Definition at line 2794 of file communication.c.

References galilei_struct::cms_vel, comm_cart, gal, local_system_CMS_velocity(), MPI_ANY_SOURCE, mpi_call(), MPI_DOUBLE, MPI_Recv(), MPI_STATUS_IGNORE, mpi_system_CMS_velocity_slave(), n_nodes, SOME_TAG, and this_node.

Referenced by mpi_galilei_transform(), and tclcommand_system_CMS_velocity().

void mpi_update_mol_ids ( void )

Issue REQ_BCAST_LJANGLEFORCECAP: initialize LJANGLE force capping.

Issue REQ_UPDATE_MOL_IDS: Update the molecule ids so that they are in sync with the topology. Note that this only makes sense if you have a simple topology such that each particle can only belong to a single molecule

Definition at line 2264 of file communication.c.

References mpi_call(), and mpi_update_mol_ids_slave().

void mpi_who_has ( )

Issue REQ_WHO_HAS: ask nodes for their attached particles.

Definition at line 304 of file communication.c.

References CellPList::cell, cells_get_n_particles(), comm_cart, COMM_TRACE, free, i, ParticleProperties::identity, local_cells, malloc, max_seen_particle, mpi_call(), MPI_Gather(), MPI_INT, MPI_Recv(), MPI_STATUS_IGNORE, mpi_who_has_slave(), CellPList::n, ParticleList::n, n_nodes, Particle::p, ParticleList::part, particle_node, realloc, SOME_TAG, and this_node.