*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2011,2014,2015,2016,2018, by the GROMACS development team, led by
+ * Copyright (c) 2011,2014,2015,2016,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
struct t_commrec;
//! Kinds of simulation conditions to signal about.
-enum {
- eglsCHKPT, eglsSTOPCOND, eglsRESETCOUNTERS, eglsNR
+enum
+{
+ eglsCHKPT,
+ eglsSTOPCOND,
+ eglsRESETCOUNTERS,
+ eglsNR
};
namespace gmx
{
-template <typename T>
+template<typename T>
class ArrayRef;
/*!
* coordinate this at run time when a SimulationSignaller is made. */
class SimulationSignal
{
- public:
- //! Constructor
- SimulationSignal(bool isSignalLocal = true) : sig(0), set(0), isLocal(isSignalLocal) {}
- //! The signal set by this rank in do_md().
- signed char sig;
- //! The communicated signal that triggers action, which will be equal for all ranks, once communication has occured.
- signed char set;
- //! Is the signal in one simulation independent of other simulations?
- bool isLocal;
+public:
+ //! Constructor
+ SimulationSignal(bool isSignalLocal = true) : sig(0), set(0), isLocal(isSignalLocal) {}
+ //! The signal set by this rank in do_md().
+ signed char sig;
+ //! The communicated signal that triggers action, which will be equal for all ranks, once communication has occured.
+ signed char set;
+ //! Is the signal in one simulation independent of other simulations?
+ bool isLocal;
};
//! Convenience typedef for the group of signals used.
* communication occurs. */
class SimulationSignaller
{
- public:
- //! Constructor
- SimulationSignaller(SimulationSignals *signals,
- const t_commrec *cr,
- const gmx_multisim_t *ms,
- bool doInterSim,
- bool doIntraSim);
- /*! \brief Return a reference to an array of signal values to communicate.
- *
- * \return If intra-sim signalling will take place, fill and
- * return a reference to the array of reals in which signals
- * will be communicated with the signal values to be
- * sent. Otherwise return a EmptyArrayRef. */
- gmx::ArrayRef<real> getCommunicationBuffer();
- /*! \brief Handle inter-simulation signal communication.
- *
- * If an inter-simulation signal should be handled, communicate between
- * simulation-master ranks, then propagate from the masters to the
- * rest of the ranks for each simulation. It is the responsibility of
- * the calling code to ensure that any necessary intra-simulation
- * signalling has already occurred, e.g. in global_stat(). */
- void signalInterSim();
- /*! \brief Propagate signals when appropriate.
- *
- * Always propagate an mdrun signal value when doing
- * inter-simulation signalling; otherwise, propagate it only
- * if should be propagated within this simulation,
- * ie. locally. See documentation of SimulationSignal for
- * details. */
- void setSignals();
- //! Convenience wrapper that calls signalInterSim() then setSignals().
- void finalizeSignals();
- private:
- //! Source and sink for mdrun signals
- SimulationSignals *signals_;
- //! Communication object.
- const t_commrec *cr_;
- //! Multi-sim handler.
- const gmx_multisim_t *ms_;
- //! Do inter-sim communication at this step.
- bool doInterSim_;
- //! Do intra-sim communication at this step.
- bool doIntraSim_;
- //! Buffer for MPI communication.
- std::array<real, eglsNR> mpiBuffer_;
+public:
+ //! Constructor
+ SimulationSignaller(SimulationSignals* signals,
+ const t_commrec* cr,
+ const gmx_multisim_t* ms,
+ bool doInterSim,
+ bool doIntraSim);
+ /*! \brief Return a reference to an array of signal values to communicate.
+ *
+ * \return If intra-sim signalling will take place, fill and
+ * return a reference to the array of reals in which signals
+ * will be communicated with the signal values to be
+ * sent. Otherwise return a EmptyArrayRef. */
+ gmx::ArrayRef<real> getCommunicationBuffer();
+ /*! \brief Handle inter-simulation signal communication.
+ *
+ * If an inter-simulation signal should be handled, communicate between
+ * simulation-master ranks, then propagate from the masters to the
+ * rest of the ranks for each simulation. It is the responsibility of
+ * the calling code to ensure that any necessary intra-simulation
+ * signalling has already occurred, e.g. in global_stat(). */
+ void signalInterSim();
+ /*! \brief Propagate signals when appropriate.
+ *
+ * Always propagate an mdrun signal value when doing
+ * inter-simulation signalling; otherwise, propagate it only
+ * if should be propagated within this simulation,
+ * ie. locally. See documentation of SimulationSignal for
+ * details. */
+ void setSignals();
+ //! Convenience wrapper that calls signalInterSim() then setSignals().
+ void finalizeSignals();
+
+private:
+ //! Source and sink for mdrun signals
+ SimulationSignals* signals_;
+ //! Communication object.
+ const t_commrec* cr_;
+ //! Multi-sim handler.
+ const gmx_multisim_t* ms_;
+ //! Do inter-sim communication at this step.
+ bool doInterSim_;
+ //! Do intra-sim communication at this step.
+ bool doIntraSim_;
+ //! Buffer for MPI communication.
+ std::array<real, eglsNR> mpiBuffer_;
};
-} // namespace gmx
+} // namespace gmx
#endif
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff