Gromacs
2022.2
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Utility functions for basic MPI and network functionality.
Functions | |
bool | gmx_mpi_initialized () |
Returns whether MPI has been initialized. More... | |
int | gmx_node_num () |
Returns the number of nodes. More... | |
int | gmx_node_rank () |
Returns the rank of the node. More... | |
int | gmx_physicalnode_id_hash () |
Return a non-negative hash that is, hopefully, unique for each physical node. More... | |
void | gmx_broadcast_world (int size, void *buffer) |
Broadcasts given data from rank zero to all other ranks. | |
void | gmx_abort (int errorno) |
Abort the parallel run. | |
bool gmx_mpi_initialized | ( | ) |
Returns whether MPI has been initialized.
The return value is FALSE
if MPI_Init() has not been called, or if GROMACS has been compiled without MPI support. For thread-MPI, returns TRUE
when the threads have been started.
Note that there is a lot of code in between MPI_Init() and the thread-MPI thread start where the return value is different depending on compilation options.
int gmx_node_num | ( | ) |
Returns the number of nodes.
For thread-MPI, returns one before the threads have been started. This allows code between the real MPI_Init() and the thread-MPI "init" to still use this function to check for serial/parallel status and work as expected: for thread-MPI, at that point they should behave as if the run was serial.
int gmx_node_rank | ( | ) |
Returns the rank of the node.
For thread-MPI, returns zero before the threads have been started. This allows code between the real MPI_Init() and the thread-MPI "init" to still use this function to check for master node work as expected: for thread-MPI, at that point the only thread of execution should behave as if it the master node.
int gmx_physicalnode_id_hash | ( | ) |
Return a non-negative hash that is, hopefully, unique for each physical node.
This hash is useful for determining hardware locality.