mdrun.cpp File Reference

#include "gmxpre.h"
#include "config.h"
#include <memory>
#include <string>
#include <tuple>
#include <utility>
#include <vector>
#include "external/scope_guard/scope_guard.h"
#include "gromacs/commandline/filenm.h"
#include "gromacs/commandline/pargs.h"
#include "gromacs/compat/pointers.h"
#include "gromacs/domdec/options.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/hardware/detecthardware.h"
#include "gromacs/hardware/hw_info.h"
#include "gromacs/mdrun/legacymdrunoptions.h"
#include "gromacs/mdrun/mdmodules.h"
#include "gromacs/mdrun/runner.h"
#include "gromacs/mdrun/simulationcontext.h"
#include "gromacs/mdrun/simulationinputhandle.h"
#include "gromacs/mdrunutility/handlerestart.h"
#include "gromacs/mdrunutility/logging.h"
#include "gromacs/mdrunutility/multisim.h"
#include "gromacs/mdtypes/mdrunoptions.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/basenetwork.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/physicalnodecommunicator.h"
#include "gromacs/utility/unique_cptr.h"
#include "mdrun_main.h"

Include dependency graph for mdrun.cpp:

Description

This file implements mdrun.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

David van der Spoel david.nosp@m..van.nosp@m.dersp.nosp@m.oel@.nosp@m.icm.u.nosp@m.u.se

Erik Lindahl erik@.nosp@m.kth..nosp@m.se

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

Functions
int	gmx::gmx_mdrun (int argc, char *argv[])
	Implements C-style main function for mdrun. More...
int	gmx::gmx_mdrun (MPI_Comm communicator, const gmx_hw_info_t &hwinfo, int argc, char *argv[])
	Implements C-style main function for mdrun. More...