Gromacs
5.1.1
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#include "gmxpre.h"
#include "mdrun_signalling.h"
#include <algorithm>
#include "gromacs/legacyheaders/md_support.h"
#include "gromacs/legacyheaders/types/commrec.h"
#include "gromacs/legacyheaders/types/inputrec.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"
This file defines functions for inter-rank signalling by mdrun.
This handles details of responding to termination conditions, coordinating checkpoints, and coordinating multi-simulations.
Functions | |
void | init_global_signals (struct gmx_signalling_t *gs, const t_commrec *cr, const t_inputrec *ir, int repl_ex_nst) |
Construct a struct gmx_signalling_t. | |
gmx::ArrayRef< real > | prepareSignalBuffer (struct gmx_signalling_t *gs) |
Fill the array of reals in which inter- and intra-simulation signals will be communicated with the signal values to be sent. | |
void | handleSignals (struct gmx_signalling_t *gs, const t_commrec *cr, bool bInterSimGS) |
Handle intra- and inter-simulation signals recieved. More... | |
void handleSignals | ( | struct gmx_signalling_t * | gs, |
const t_commrec * | cr, | ||
bool | bInterSimGS | ||
) |
Handle intra- and inter-simulation signals recieved.
If a multi-simulation signal should be handled, communicate between simulation-master ranks, then propagate from the masters to the rest of the ranks for each simulation.
Then, set the flags that mdrun will use to respond to the signals received.