src/gromacs/mdlib/main.h

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  37 #ifndef GMX_MDLIB_MAIN_H
  38 #define GMX_MDLIB_MAIN_H
  39
  40 #include <stdio.h>
  41
  42 #include "gromacs/utility/basedefinitions.h"
  43
  44 struct gmx_multisim_t;
  45 struct t_commrec;
  46 struct t_filenm;
  47
  48 void gmx_log_open(const char *fn, const t_commrec *cr,
  49                   gmx_bool bAppendFiles, FILE**);
  50 /* Open the log file, if necessary (nprocs > 1) the logfile name is
  51  * communicated around the ring.
  52  */
  53
  54 void gmx_log_close(FILE *fp);
  55 /* Close the log file */
  56
  57 void check_multi_int(FILE *log, const gmx_multisim_t *ms,
  58                      int val, const char *name,
  59                      gmx_bool bQuiet);
  60 void check_multi_int64(FILE *log, const gmx_multisim_t *ms,
  61                        gmx_int64_t val, const char *name,
  62                        gmx_bool bQuiet);
  63 /* Check if val is the same on all processors for a mdrun -multi run
  64  * The string name is used to print to the log file and in a fatal error
  65  * if the val's don't match. If bQuiet is true and the check passes,
  66  * no output is written.
  67  */
  68
  69 void init_multisystem(t_commrec *cr, int nsim, char **multidirs,
  70                       int nfile, const t_filenm fnm[]);
  71 /* Splits the communication into nsim separate simulations
  72  * and creates a communication structure between the master
  73  * these simulations.
  74  */
  75
  76 #endif