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Gromacs
2026.0-dev-20251109-f20ba35
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This graph shows which files directly or indirectly include this file: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_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 main node work as expected: for thread-MPI, at that point the only thread of execution should behave as if it the main 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.
1.8.5