Molssi Driver Interface Library
Functions | Variables
mdi.c File Reference

Functions callable by users of the MolSSI Driver Interface. More...

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <errno.h>
#include "mdi.h"
#include "mdi_global.h"
#include "mdi_general.h"
#include "mdi_mpi.h"
#include "mdi_lib.h"
#include "physconst.h"

Functions

int MDI_Init (int *argc, char ***argv)
 Initialize communication through the MDI library. More...
 
int MDI_Init_with_options (const char *options)
 Initialize communication through the MDI library. More...
 
int MDI_Initialized (int *flag)
 Indicates whether MDI_Init has been called. More...
 
MDI_Comm MDI_Accept_Communicator (MDI_Comm *comm)
 Accept a new MDI communicator. More...
 
MDI_Comm MDI_Accept_communicator (MDI_Comm *comm)
 Accept a new MDI communicator. More...
 
int MDI_Send (const void *buf, int count, MDI_Datatype datatype, MDI_Comm comm)
 Send data through the MDI connection. More...
 
int MDI_Recv (void *buf, int count, MDI_Datatype datatype, MDI_Comm comm)
 Receive data through the MDI connection. More...
 
int MDI_Send_Command (const char *buf, MDI_Comm comm)
 Send a command of length MDI_COMMAND_LENGTH through the MDI connection. More...
 
int MDI_Send_command (const char *buf, MDI_Comm comm)
 Send a command of length MDI_COMMAND_LENGTH through the MDI connection. More...
 
int MDI_Recv_Command (char *buf, MDI_Comm comm)
 Receive a command of length MDI_COMMAND_LENGTH through the MDI connection. More...
 
int MDI_Recv_command (char *buf, MDI_Comm comm)
 Receive a command of length MDI_COMMAND_LENGTH through the MDI connection. More...
 
int MDI_Conversion_Factor (const char *in_unit, const char *out_unit, double *conv)
 Determine the conversion factor between two units. More...
 
int MDI_Conversion_factor (const char *in_unit, const char *out_unit, double *conv)
 Determine the conversion factor between two units. More...
 
int MDI_Get_Role (int *role)
 Get the role of the code. More...
 
int MDI_Get_role (int *role)
 Get the role of the code. More...
 
void MDI_Set_World_Size (int world_size_in)
 Set the size of MPI_COMM_WORLD. More...
 
void MDI_Set_World_Rank (int world_rank_in)
 Set the rank of this process within MPI_COMM_WORLD. More...
 
int MDI_Get_intra_rank (int intra_rank_out)
 Get the rank of this process within the MPI intra-communicator for the current code. More...
 
int MDI_Register_Node (const char *node_name)
 Register a node. More...
 
int MDI_Register_node (const char *node_name)
 Register a node. More...
 
int MDI_Check_Node_Exists (const char *node_name, MDI_Comm comm, int *flag)
 Check whether a node is supported on a specified engine. More...
 
int MDI_Check_node_exists (const char *node_name, MDI_Comm comm, int *flag)
 Check whether a node is supported on a specified engine. More...
 
int MDI_Get_NNodes (MDI_Comm comm, int *nnodes)
 Get the number of nodes on a specified engine. More...
 
int MDI_Get_nnodes (MDI_Comm comm, int *nnodes)
 Get the number of nodes on a specified engine. More...
 
int MDI_Get_Node (int index, MDI_Comm comm, char *name)
 Get the name of a node on a specified engine. More...
 
int MDI_Get_node (int index, MDI_Comm comm, char *name)
 Get the name of a node on a specified engine. More...
 
int MDI_Register_Command (const char *node_name, const char *command_name)
 Register a command on a specified node. More...
 
int MDI_Register_command (const char *node_name, const char *command_name)
 Register a command on a specified node. More...
 
int MDI_Check_Command_Exists (const char *node_name, const char *command_name, MDI_Comm comm, int *flag)
 Check whether a command is supported on specified node on a specified engine. More...
 
int MDI_Check_command_exists (const char *node_name, const char *command_name, MDI_Comm comm, int *flag)
 Check whether a command is supported on specified node on a specified engine. More...
 
int MDI_Get_NCommands (const char *node_name, MDI_Comm comm, int *ncommands)
 Get the number of commands supported for a specified node on a specified engine. More...
 
int MDI_Get_ncommands (const char *node_name, MDI_Comm comm, int *ncommands)
 Get the number of commands supported for a specified node on a specified engine. More...
 
int MDI_Get_Command (const char *node_name, int index, MDI_Comm comm, char *name)
 Get the name of a command on a specified node on a specified engine. More...
 
int MDI_Get_command (const char *node_name, int index, MDI_Comm comm, char *name)
 Get the name of a command on a specified node on a specified engine. More...
 
int MDI_Register_Callback (const char *node_name, const char *callback_name)
 Register a callback on a specified node. More...
 
int MDI_Register_callback (const char *node_name, const char *callback_name)
 Register a callback on a specified node. More...
 
int MDI_Check_Callback_Exists (const char *node_name, const char *callback_name, MDI_Comm comm, int *flag)
 Check whether a callback exists on specified node on a specified engine. More...
 
int MDI_Check_callback_exists (const char *node_name, const char *callback_name, MDI_Comm comm, int *flag)
 Check whether a callback exists on specified node on a specified engine. More...
 
int MDI_Get_NCallbacks (const char *node_name, MDI_Comm comm, int *ncallbacks)
 Get the number of callbacks on a specified node on a specified engine. More...
 
int MDI_Get_ncallbacks (const char *node_name, MDI_Comm comm, int *ncallbacks)
 Get the number of callbacks on a specified node on a specified engine. More...
 
int MDI_Get_Callback (const char *node_name, int index, MDI_Comm comm, char *name)
 Get the name of a callback on a specified node on a specified engine. More...
 
int MDI_Get_callback (const char *node_name, int index, MDI_Comm comm, char *name)
 Get the name of a callback on a specified node on a specified engine. More...
 
int MDI_MPI_get_world_comm (void *world_comm)
 Obtain the MPI communicator that spans the single code corresponding to the calling rank. More...
 
int MDI_MPI_set_world_comm (void *world_comm)
 Set the MPI communicator that spans the single code corresponding to the calling rank. More...
 
int MDI_Launch_plugin (const char *plugin_name, const char *options, void *mpi_comm_ptr, MDI_Driver_node_callback_t driver_node_callback, void *driver_callback_object)
 Launch an MDI plugin instance. More...
 
int MDI_Set_Execute_Command_Func (int(*generic_command)(const char *, MDI_Comm, void *), void *class_object)
 Set the callback MDI uses for MDI_Execute_Command. More...
 
int MDI_Set_execute_command_func (int(*generic_command)(const char *, MDI_Comm, void *), void *class_object)
 Set the callback MDI uses for MDI_Execute_Command. More...
 
int MDI_Get_Current_Code ()
 Get the current code. More...
 
int MDI_Get_plugin_mode (int *plugin_mode_ptr)
 Get whether plugin mode is active. More...
 
int MDI_Plugin_get_argc (int *argc_ptr)
 Get plugin_argc. More...
 
int MDI_Plugin_get_argv (char ***argv_ptr)
 Get plugin_argv. More...
 
int MDI_Plugin_get_args (char **args_ptr)
 Get plugin_unedited_options. More...
 
int MDI_Plugin_get_arg (int index, char **arg_ptr)
 Get a specific element from plugin_argv. More...
 
int MDI_Get_python_plugin_mpi_world_ptr (void **python_plugin_mpi_world_ptr_ptr)
 Get the Python plugin MPI communicator. More...
 
int MDI_Set_Mpi4py_Recv_Callback (int(*mpi4py_recv)(void *, int, int, int, MDI_Comm))
 Set the callback MDI uses for MPI_Recv when using mpi4py. More...
 
int MDI_Set_Mpi4py_Send_Callback (int(*mpi4py_send)(void *, int, int, int, MDI_Comm))
 Set the callback MDI uses for MPI_Send when using mpi4py. More...
 
int MDI_Set_Mpi4py_Gather_Names_Callback (int(*mpi4py_gather_names)(void *, void *))
 Set the callback MDI uses for gathering code names when using mpi4py. More...
 
int MDI_Set_Mpi4py_Split_Callback (int(*mpi4py_split)(int, int, MDI_Comm, int))
 Set the callback MDI uses for MPI_Split when using mpi4py. More...
 
int MDI_Set_Mpi4py_Rank_Callback (int(*mpi4py_rank)(int))
 Set the callback MDI uses for MPI_Comm_rank when using mpi4py. More...
 
int MDI_Set_Mpi4py_Size_Callback (int(*mpi4py_size)(int))
 Set the callback MDI uses for MPI_Comm_size when using mpi4py. More...
 
int MDI_Set_Mpi4py_Barrier_Callback (int(*mpi4py_barrier)(int))
 Set the callback MDI uses for MPI_Barrier when using mpi4py. More...
 

Variables

const int MDI_MAJOR_VERSION = MDI_MAJOR_VERSION_
 MDI major version number.
 
const int MDI_MINOR_VERSION = MDI_MINOR_VERSION_
 MDI minor version number.
 
const int MDI_PATCH_VERSION = MDI_PATCH_VERSION_
 MDI patch version number.
 
const int MDI_COMMAND_LENGTH = MDI_COMMAND_LENGTH_
 length of an MDI command in characters
 
const int MDI_NAME_LENGTH = MDI_NAME_LENGTH_
 length of an MDI name in characters
 
const int MDI_LABEL_LENGTH = MDI_LABEL_LENGTH_
 length of an MDI label in characters
 
const MDI_Comm MDI_COMM_NULL = MDI_COMM_NULL_
 value of a null communicator
 
const int MDI_INT = MDI_INT_
 integer data type
 
const int MDI_INT8_T = MDI_INT8_T_
 int8_t data type
 
const int MDI_INT16_T = MDI_INT16_T_
 int16_t data type
 
const int MDI_INT32_T = MDI_INT32_T_
 int32_t data type
 
const int MDI_INT64_T = MDI_INT64_T_
 int64_t data type
 
const int MDI_UINT8_T = MDI_UINT8_T_
 uint8_t data type
 
const int MDI_UINT16_T = MDI_UINT16_T_
 uint16_t data type
 
const int MDI_UINT32_T = MDI_UINT32_T_
 uint32_t data type
 
const int MDI_UINT64_T = MDI_UINT64_T_
 uint64_t data type
 
const int MDI_DOUBLE = MDI_DOUBLE_
 double precision float data type
 
const int MDI_CHAR = MDI_CHAR_
 character data type
 
const int MDI_FLOAT = MDI_FLOAT_
 single precision float data type
 
const int MDI_BYTE = MDI_BYTE_
 character data type
 
const int MDI_TCP = MDI_TCP_
 TCP/IP communication method.
 
const int MDI_MPI = MDI_MPI_
 MPI communication method.
 
const int MDI_LINK = MDI_LINK_
 Library communication method.
 
const int MDI_TEST = MDI_TEST_
 Test communication method.
 
const int MDI_DRIVER = MDI_DRIVER_
 Driver role type.
 
const int MDI_ENGINE = MDI_ENGINE_
 Engine role type.
 

Detailed Description

Functions callable by users of the MolSSI Driver Interface.

Function Documentation

◆ MDI_Accept_Communicator()

MDI_Comm MDI_Accept_Communicator ( MDI_Comm *  comm)

Accept a new MDI communicator.

The function returns an MDI_Comm that describes a connection between two codes. If no new communicators are available, the function returns MDI_COMM_NULL.

◆ MDI_Accept_communicator()

MDI_Comm MDI_Accept_communicator ( MDI_Comm *  comm)

Accept a new MDI communicator.

The function returns an MDI_Comm that describes a connection between two codes. If no new communicators are available, the function returns MDI_COMM_NULL.

◆ MDI_Check_Callback_Exists()

int MDI_Check_Callback_Exists ( const char *  node_name,
const char *  callback_name,
MDI_Comm  comm,
int *  flag 
)

Check whether a callback exists on specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the callbacks's node.
[in]command_nameName of the callback.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]flagOn return, 1 if the callback is supported and 0 otherwise.

◆ MDI_Check_callback_exists()

int MDI_Check_callback_exists ( const char *  node_name,
const char *  callback_name,
MDI_Comm  comm,
int *  flag 
)

Check whether a callback exists on specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the callbacks's node.
[in]command_nameName of the callback.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]flagOn return, 1 if the callback is supported and 0 otherwise.

◆ MDI_Check_Command_Exists()

int MDI_Check_Command_Exists ( const char *  node_name,
const char *  command_name,
MDI_Comm  comm,
int *  flag 
)

Check whether a command is supported on specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the command's node.
[in]command_nameName of the command.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]flagOn return, 1 if the command is supported and 0 otherwise.

◆ MDI_Check_command_exists()

int MDI_Check_command_exists ( const char *  node_name,
const char *  command_name,
MDI_Comm  comm,
int *  flag 
)

Check whether a command is supported on specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the command's node.
[in]command_nameName of the command.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]flagOn return, 1 if the command is supported and 0 otherwise.

◆ MDI_Check_Node_Exists()

int MDI_Check_Node_Exists ( const char *  node_name,
MDI_Comm  comm,
int *  flag 
)

Check whether a node is supported on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]flagOn return, 1 if the node is supported and 0 otherwise.

◆ MDI_Check_node_exists()

int MDI_Check_node_exists ( const char *  node_name,
MDI_Comm  comm,
int *  flag 
)

Check whether a node is supported on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]flagOn return, 1 if the node is supported and 0 otherwise.

◆ MDI_Conversion_Factor()

int MDI_Conversion_Factor ( const char *  in_unit,
const char *  out_unit,
double *  conv 
)

Determine the conversion factor between two units.

The function determines the conversion factor from in_unit to out_unit. The function requires that in_unit and out_unit be members of the same category of unit (i.e. charge, energy, force, etc.). For example, calling MDI_Conversion_Factor("kilojoule_per_mol","atomic_unit_of_energy") will return the conversion factor from kilojoule/mol to hartrees. The function returns 0 on a success.

All quantities communicated through MDI must be represented using atomic units. When unit conversions are necessary, this function should be used to obtain the conversion factors, as this will ensure that all drivers and engines use conversion factors that are self-consistent across codes. Use of conversion factors that are not self-consistent can result in numerical instabilities.

The following is a list of the unit categories, along with the names of the units associated with each category:

  • charge
    • atomic_unit_of_charge
    • coulomb
  • energy
    • atomic_unit_of_energy
    • calorie
    • electron_volt
    • hartree
    • inverse_meter_energy
    • joule
    • kelvin_energy
    • kilocalorie
    • kilocalorie_per_mol
    • kilojoule
    • kilojoule_per_mol
    • rydberg
  • force
    • atomic_unit_of_force
    • newton
  • length
    • angstrom
    • atomic_unit_of_length
    • bohr
    • meter
    • nanometer
    • picometer
  • mass
    • atomic_mass_unit
    • atomic_unit_of_mass
    • gram
    • kilogram
  • time
    • atomic_unit_of_time
    • picosecond
    • second

All conversion factors were acquired from the NIST CODATA, except the conversion factors for calorie, kilocalorie, and kilocalorie_per_mol, which were obtained from the NIST Guide to the SI.

Parameters
[in]in_unitName of the unit to convert from.
[in]out_unitName of the unit to convert to.
[out]convConversion factor from in_unit to out_unit

◆ MDI_Conversion_factor()

int MDI_Conversion_factor ( const char *  in_unit,
const char *  out_unit,
double *  conv 
)

Determine the conversion factor between two units.

The function determines the conversion factor from in_unit to out_unit. The function requires that in_unit and out_unit be members of the same category of unit (i.e. charge, energy, force, etc.). For example, calling MDI_Conversion_Factor("kilojoule_per_mol","atomic_unit_of_energy") will return the conversion factor from kilojoule/mol to hartrees. The function returns 0 on a success.

All quantities communicated through MDI must be represented using atomic units. When unit conversions are necessary, this function should be used to obtain the conversion factors, as this will ensure that all drivers and engines use conversion factors that are self-consistent across codes. Use of conversion factors that are not self-consistent can result in numerical instabilities.

The following is a list of the unit categories, along with the names of the units associated with each category:

  • charge
    • atomic_unit_of_charge
    • coulomb
  • energy
    • atomic_unit_of_energy
    • calorie
    • electron_volt
    • hartree
    • inverse_meter_energy
    • joule
    • kelvin_energy
    • kilocalorie
    • kilocalorie_per_mol
    • kilojoule
    • kilojoule_per_mol
    • rydberg
  • force
    • atomic_unit_of_force
    • newton
  • length
    • angstrom
    • atomic_unit_of_length
    • bohr
    • meter
    • nanometer
    • picometer
  • mass
    • atomic_mass_unit
    • atomic_unit_of_mass
    • gram
    • kilogram
  • time
    • atomic_unit_of_time
    • picosecond
    • second

All conversion factors were acquired from the NIST CODATA, except the conversion factors for calorie, kilocalorie, and kilocalorie_per_mol, which were obtained from the NIST Guide to the SI.

Parameters
[in]in_unitName of the unit to convert from.
[in]out_unitName of the unit to convert to.
[out]convConversion factor from in_unit to out_unit

◆ MDI_Get_Callback()

int MDI_Get_Callback ( const char *  node_name,
int  index,
MDI_Comm  comm,
char *  name 
)

Get the name of a callback on a specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node on which the callback is located.
[in]indexIndex of the callback on the specified node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nameOn return, the name of the callback

◆ MDI_Get_callback()

int MDI_Get_callback ( const char *  node_name,
int  index,
MDI_Comm  comm,
char *  name 
)

Get the name of a callback on a specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node on which the callback is located.
[in]indexIndex of the callback on the specified node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nameOn return, the name of the callback

◆ MDI_Get_Command()

int MDI_Get_Command ( const char *  node_name,
int  index,
MDI_Comm  comm,
char *  name 
)

Get the name of a command on a specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node on which the command is located.
[in]indexIndex of the command on the specified node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nameOn return, the name of the command

◆ MDI_Get_command()

int MDI_Get_command ( const char *  node_name,
int  index,
MDI_Comm  comm,
char *  name 
)

Get the name of a command on a specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node on which the command is located.
[in]indexIndex of the command on the specified node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nameOn return, the name of the command

◆ MDI_Get_Current_Code()

int MDI_Get_Current_Code ( )

Get the current code.

◆ MDI_Get_intra_rank()

int MDI_Get_intra_rank ( int  intra_rank_out)

Get the rank of this process within the MPI intra-communicator for the current code.

This function is only used by the Fortran wrapper

◆ MDI_Get_NCallbacks()

int MDI_Get_NCallbacks ( const char *  node_name,
MDI_Comm  comm,
int *  ncallbacks 
)

Get the number of callbacks on a specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]ncallbacksOn return, the number of callbacks on the specified node on the specified engine.

◆ MDI_Get_ncallbacks()

int MDI_Get_ncallbacks ( const char *  node_name,
MDI_Comm  comm,
int *  ncallbacks 
)

Get the number of callbacks on a specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]ncallbacksOn return, the number of callbacks on the specified node on the specified engine.

◆ MDI_Get_NCommands()

int MDI_Get_NCommands ( const char *  node_name,
MDI_Comm  comm,
int *  ncommands 
)

Get the number of commands supported for a specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nnodesOn return, the number of commands supported on the specified engine on the specified node.

◆ MDI_Get_ncommands()

int MDI_Get_ncommands ( const char *  node_name,
MDI_Comm  comm,
int *  ncommands 
)

Get the number of commands supported for a specified node on a specified engine.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nnodesOn return, the number of commands supported on the specified engine on the specified node.

◆ MDI_Get_NNodes()

int MDI_Get_NNodes ( MDI_Comm  comm,
int *  nnodes 
)

Get the number of nodes on a specified engine.

The function returns 0 on a success.

Parameters
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nnodesOn return, the number of nodes supported by the engine.

◆ MDI_Get_nnodes()

int MDI_Get_nnodes ( MDI_Comm  comm,
int *  nnodes 
)

Get the number of nodes on a specified engine.

The function returns 0 on a success.

Parameters
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nnodesOn return, the number of nodes supported by the engine.

◆ MDI_Get_Node()

int MDI_Get_Node ( int  index,
MDI_Comm  comm,
char *  name 
)

Get the name of a node on a specified engine.

The function returns 0 on a success.

Parameters
[in]indexIndex of the node on the specified engine.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nameOn return, the name of the node

◆ MDI_Get_node()

int MDI_Get_node ( int  index,
MDI_Comm  comm,
char *  name 
)

Get the name of a node on a specified engine.

The function returns 0 on a success.

Parameters
[in]indexIndex of the node on the specified engine.
[in]commMDI communicator of the engine. If comm is set to MDI_COMM_NULL, the function will check for the calling engine.
[out]nameOn return, the name of the node

◆ MDI_Get_plugin_mode()

int MDI_Get_plugin_mode ( int *  plugin_mode_ptr)

Get whether plugin mode is active.

◆ MDI_Get_python_plugin_mpi_world_ptr()

int MDI_Get_python_plugin_mpi_world_ptr ( void **  python_plugin_mpi_world_ptr_ptr)

Get the Python plugin MPI communicator.

◆ MDI_Get_Role()

int MDI_Get_Role ( int *  role)

Get the role of the code.

The function returns 0 on a success.

Parameters
[out]roleRole of the code (either MDI_DRIVER or MDI_ENGINE)

◆ MDI_Get_role()

int MDI_Get_role ( int *  role)

Get the role of the code.

The function returns 0 on a success.

Parameters
[out]roleRole of the code (either MDI_DRIVER or MDI_ENGINE)

◆ MDI_Init()

int MDI_Init ( int *  argc,
char ***  argv 
)

Initialize communication through the MDI library.

If using the "-method MPI" option, this function must be called by all ranks. The function returns 0 on a success.

Parameters
[in,out]argcPointer to the number of arguments.
[in,out]argvPointer to the argument vector.

◆ MDI_Init_with_options()

int MDI_Init_with_options ( const char *  options)

Initialize communication through the MDI library.

If using the "-method MPI" option, this function must be called by all ranks. The function returns 0 on a success.

Parameters
[in]optionsOptions describing the communication method used to connect to codes.
[in,out]world_commOn input, the MPI communicator that spans all of the codes. On output, the MPI communicator that spans the single code corresponding to the calling rank. Only used if the "-method MPI" option is provided.

◆ MDI_Initialized()

int MDI_Initialized ( int *  flag)

Indicates whether MDI_Init has been called.

Parameters
[out]flagFlag is true if and only if MDI_Init has been called.

◆ MDI_Launch_plugin()

int MDI_Launch_plugin ( const char *  plugin_name,
const char *  options,
void *  mpi_comm_ptr,
MDI_Driver_node_callback_t  driver_node_callback,
void *  driver_callback_object 
)

Launch an MDI plugin instance.

The function returns 0 on a success.

Parameters
[in]plugin_nameName of the plugin.
[in]optionsCommand-line options for the plugin.
[in]mpi_comm_ptrPointer to an MPI intra-communicator that spans all ranks that will run this plugin instance.
[in]driver_node_callbackFunction pointer to the driver code that will be executed on this engine.
[in]driver_callback_objectPointer to the object instance of which driver_node_callback is a class member. Should be set void if driver_node_callback is not a member of a class.

◆ MDI_MPI_get_world_comm()

int MDI_MPI_get_world_comm ( void *  world_comm)

Obtain the MPI communicator that spans the single code corresponding to the calling rank.

The function returns 0 on a success.

Parameters
[out]world_commOn output, the MPI communicator that spans the single code corresponding to the calling rank.

◆ MDI_MPI_set_world_comm()

int MDI_MPI_set_world_comm ( void *  world_comm)

Set the MPI communicator that spans the single code corresponding to the calling rank.

The function returns 0 on a success.

Parameters
[out]world_commThe MPI communicator that spans the single code corresponding to the calling rank.

◆ MDI_Plugin_get_arg()

int MDI_Plugin_get_arg ( int  index,
char **  arg_ptr 
)

Get a specific element from plugin_argv.

◆ MDI_Plugin_get_argc()

int MDI_Plugin_get_argc ( int *  argc_ptr)

Get plugin_argc.

◆ MDI_Plugin_get_args()

int MDI_Plugin_get_args ( char **  args_ptr)

Get plugin_unedited_options.

◆ MDI_Plugin_get_argv()

int MDI_Plugin_get_argv ( char ***  argv_ptr)

Get plugin_argv.

◆ MDI_Recv()

int MDI_Recv ( void *  buf,
int  count,
MDI_Datatype  datatype,
MDI_Comm  comm 
)

Receive data through the MDI connection.

If running with MPI, this function must be called only by rank 0. The function returns 0 on a success.

Parameters
[in]bufPointer to the buffer where the received data will be stored.
[in]countNumber of values (integers, double precision floats, characters, etc.) to be received.
[in]datatypeMDI handle (MDI_INT, MDI_DOUBLE, MDI_CHAR, etc.) corresponding to the type of data to be received.
[in]commMDI communicator associated with the connection to the sending code.

◆ MDI_Recv_Command()

int MDI_Recv_Command ( char *  buf,
MDI_Comm  comm 
)

Receive a command of length MDI_COMMAND_LENGTH through the MDI connection.

If running with MPI, this function must be called only by rank 0. The function returns 0 on a success.

Parameters
[in]bufPointer to the buffer where the received data will be stored.
[in]commMDI communicator associated with the connection to the sending code.

◆ MDI_Recv_command()

int MDI_Recv_command ( char *  buf,
MDI_Comm  comm 
)

Receive a command of length MDI_COMMAND_LENGTH through the MDI connection.

If running with MPI, this function must be called only by rank 0. The function returns 0 on a success.

Parameters
[in]bufPointer to the buffer where the received data will be stored.
[in]commMDI communicator associated with the connection to the sending code.

◆ MDI_Register_Callback()

int MDI_Register_Callback ( const char *  node_name,
const char *  callback_name 
)

Register a callback on a specified node.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node on which the callback will be registered.
[in]callback_nameName of the callback.

◆ MDI_Register_callback()

int MDI_Register_callback ( const char *  node_name,
const char *  callback_name 
)

Register a callback on a specified node.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node on which the callback will be registered.
[in]callback_nameName of the callback.

◆ MDI_Register_Command()

int MDI_Register_Command ( const char *  node_name,
const char *  command_name 
)

Register a command on a specified node.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node on which the command will be registered.
[in]command_nameName of the command.

◆ MDI_Register_command()

int MDI_Register_command ( const char *  node_name,
const char *  command_name 
)

Register a command on a specified node.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node on which the command will be registered.
[in]command_nameName of the command.

◆ MDI_Register_Node()

int MDI_Register_Node ( const char *  node_name)

Register a node.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node.

◆ MDI_Register_node()

int MDI_Register_node ( const char *  node_name)

Register a node.

The function returns 0 on a success.

Parameters
[in]node_nameName of the node.

◆ MDI_Send()

int MDI_Send ( const void *  buf,
int  count,
MDI_Datatype  datatype,
MDI_Comm  comm 
)

Send data through the MDI connection.

If running with MPI, this function must be called only by rank 0. The function returns 0 on a success.

Parameters
[in]bufPointer to the data to be sent.
[in]countNumber of values (integers, double precision floats, characters, etc.) to be sent.
[in]datatypeMDI handle (MDI_INT, MDI_DOUBLE, MDI_CHAR, etc.) corresponding to the type of data to be sent.
[in]commMDI communicator associated with the intended recipient code.

◆ MDI_Send_Command()

int MDI_Send_Command ( const char *  buf,
MDI_Comm  comm 
)

Send a command of length MDI_COMMAND_LENGTH through the MDI connection.

If running with MPI, this function must be called only by rank 0. The function returns 0 on a success.

Parameters
[in]bufPointer to the data to be sent.
[in]commMDI communicator associated with the intended recipient code.

◆ MDI_Send_command()

int MDI_Send_command ( const char *  buf,
MDI_Comm  comm 
)

Send a command of length MDI_COMMAND_LENGTH through the MDI connection.

If running with MPI, this function must be called only by rank 0. The function returns 0 on a success.

Parameters
[in]bufPointer to the data to be sent.
[in]commMDI communicator associated with the intended recipient code.

◆ MDI_Set_Execute_Command_Func()

int MDI_Set_Execute_Command_Func ( int(*)(const char *, MDI_Comm, void *)  generic_command,
void *  class_object 
)

Set the callback MDI uses for MDI_Execute_Command.

The function returns 0 on a success.

Parameters
[in]execute_commandFunction pointer to the generic execute_command function

◆ MDI_Set_execute_command_func()

int MDI_Set_execute_command_func ( int(*)(const char *, MDI_Comm, void *)  generic_command,
void *  class_object 
)

Set the callback MDI uses for MDI_Execute_Command.

The function returns 0 on a success.

Parameters
[in]execute_commandFunction pointer to the generic execute_command function

◆ MDI_Set_Mpi4py_Barrier_Callback()

int MDI_Set_Mpi4py_Barrier_Callback ( int(*)(int)  mpi4py_barrier)

Set the callback MDI uses for MPI_Barrier when using mpi4py.

The function returns 0 on a success.

Parameters
[in]mpi4py_barrierFunction pointer to the mpi4py_barrier callback

◆ MDI_Set_Mpi4py_Gather_Names_Callback()

int MDI_Set_Mpi4py_Gather_Names_Callback ( int(*)(void *, void *)  mpi4py_gather_names)

Set the callback MDI uses for gathering code names when using mpi4py.

The function returns 0 on a success.

Parameters
[in]mpi4py_gather_namesFunction pointer to the mpi4py_gather_names callback

◆ MDI_Set_Mpi4py_Rank_Callback()

int MDI_Set_Mpi4py_Rank_Callback ( int(*)(int)  mpi4py_rank)

Set the callback MDI uses for MPI_Comm_rank when using mpi4py.

The function returns 0 on a success.

Parameters
[in]mpi4py_rankFunction pointer to the mpi4py_rank callback

◆ MDI_Set_Mpi4py_Recv_Callback()

int MDI_Set_Mpi4py_Recv_Callback ( int(*)(void *, int, int, int, MDI_Comm)  mpi4py_recv)

Set the callback MDI uses for MPI_Recv when using mpi4py.

The function returns 0 on a success.

Parameters
[in]mpi4py_recvFunction pointer to the mpi4py_recv callback

◆ MDI_Set_Mpi4py_Send_Callback()

int MDI_Set_Mpi4py_Send_Callback ( int(*)(void *, int, int, int, MDI_Comm)  mpi4py_send)

Set the callback MDI uses for MPI_Send when using mpi4py.

The function returns 0 on a success.

Parameters
[in]mpi4py_sendFunction pointer to the mpi4py_send callback

◆ MDI_Set_Mpi4py_Size_Callback()

int MDI_Set_Mpi4py_Size_Callback ( int(*)(int)  mpi4py_size)

Set the callback MDI uses for MPI_Comm_size when using mpi4py.

The function returns 0 on a success.

Parameters
[in]mpi4py_sizeFunction pointer to the mpi4py_size callback

◆ MDI_Set_Mpi4py_Split_Callback()

int MDI_Set_Mpi4py_Split_Callback ( int(*)(int, int, MDI_Comm, int)  mpi4py_split)

Set the callback MDI uses for MPI_Split when using mpi4py.

The function returns 0 on a success.

Parameters
[in]mpi4py_splitFunction pointer to the mpi4py_split callback

◆ MDI_Set_World_Rank()

void MDI_Set_World_Rank ( int  world_rank_in)

Set the rank of this process within MPI_COMM_WORLD.

This function is only used if the linked program uses MPI4PY.

◆ MDI_Set_World_Size()

void MDI_Set_World_Size ( int  world_size_in)

Set the size of MPI_COMM_WORLD.

This function is only used if the linked program uses MPI4PY.