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44 #include "visibility.h"
51 char *gmx_gethostname(char *name
, size_t len
);
52 /* Sets the hostname to the value given by gethostname, if available,
53 * and to "unknown" otherwise. name should have at least size len.
58 void gmx_log_open(const char *fn
, const t_commrec
*cr
,
59 gmx_bool bMasterOnly
, gmx_bool bAppendFiles
, FILE**);
60 /* Open the log file, if necessary (nprocs > 1) the logfile name is
61 * communicated around the ring.
65 void gmx_log_close(FILE *fp
);
66 /* Close the log file */
69 void check_multi_int(FILE *log
, const gmx_multisim_t
*ms
,
70 int val
, const char *name
,
73 void check_multi_large_int(FILE *log
, const gmx_multisim_t
*ms
,
74 gmx_large_int_t val
, const char *name
,
76 /* Check if val is the same on all processors for a mdrun -multi run
77 * The string name is used to print to the log file and in a fatal error
78 * if the val's don't match. If bQuiet is true and the check passes,
79 * no output is written.
83 void init_multisystem(t_commrec
*cr
, int nsim
, char **multidirs
,
84 int nfile
, const t_filenm fnm
[], gmx_bool bParFn
);
85 /* Splits the communication into nsim separate simulations
86 * and creates a communication structure between the master
88 * If bParFn is set, the nodeid is appended to the tpx and each output file.
92 t_commrec
*init_par(int *argc
, char ***argv_ptr
);
93 /* Initiate the parallel computer. Return the communication record
94 * (see network.h). The command line arguments are communicated so that they can be
95 * parsed on each processor.
96 * Arguments are the number of command line arguments, and a pointer to the
97 * array of argument strings. Both are allowed to be NULL.
101 t_commrec
*init_par_threads(const t_commrec
*cro
);
102 /* Initialize communication records for thread-parallel simulations.
103 Must be called on all threads before any communication takes place by
104 the individual threads. Copies the original commrec to
105 thread-local versions (a small memory leak results because we don't
106 deallocate the old shared version). */