Gromacs  2019-beta2
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Functions
multisim.h File Reference
#include <string>
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/gmxmpi.h"
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Description

Declares the multi-simulation support routines.

Author
Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Functions

gmx_multisim_t * init_multisystem (MPI_Comm comm, gmx::ArrayRef< const std::string > multidirs)
 Initializes multi-simulations. More...
 
void done_multisim (gmx_multisim_t *ms)
 Cleans up multi-system handler.
 

Function Documentation

gmx_multisim_t* init_multisystem ( MPI_Comm  comm,
gmx::ArrayRef< const std::string >  multidirs 
)

Initializes multi-simulations.

Splits the communication into multidirs.size() separate simulations, if >1, and creates a communication structure between the master these simulations.