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47 /* the name of the environment variable to disable fsync failure checks with */
48 #define GMX_IGNORE_FSYNC_FAILURE_ENV "GMX_IGNORE_FSYNC_FAILURE"
50 /* Write a checkpoint to <fn>.cpt
51 * Appends the _step<step>.cpt with bNumberAndKeep,
52 * otherwise moves the previous <fn>.cpt to <fn>_prev.cpt
54 void write_checkpoint(const char *fn
,gmx_bool bNumberAndKeep
,
55 FILE *fplog
,t_commrec
*cr
,
56 int eIntegrator
, int simulation_part
,
57 gmx_bool bExpanded
, int elamstats
,
58 gmx_large_int_t step
,double t
,
61 /* Loads a checkpoint from fn for run continuation.
62 * Generates a fatal error on system size mismatch.
63 * The master node reads the file
64 * and communicates all the modified number of steps and the parallel setup,
65 * but not the state itself.
66 * When bAppend is set, lock the log file and truncate the existing output
67 * files so they can be appended.
68 * With bAppend and bForceAppend: truncate anyhow if the system does not
69 * support file locking.
71 void load_checkpoint(const char *fn
,FILE **fplog
,
72 t_commrec
*cr
,gmx_bool bPartDecomp
,ivec dd_nc
,
73 t_inputrec
*ir
,t_state
*state
,gmx_bool
*bReadRNG
,
74 gmx_bool
*bReadEkin
,gmx_bool bAppend
,gmx_bool bForceAppend
);
76 /* Read the state from checkpoint file.
77 * Arrays in state that are NULL are allocated.
78 * If bReadRNG=TRUE a RNG state compatible with the current
79 * number of nodes was read.
81 void read_checkpoint_state(const char *fn
,int *simulation_part
,
82 gmx_large_int_t
*step
,double *t
,t_state
*state
);
84 /* Read everything that can be stored in t_trxframe from a checkpoint file */
85 void read_checkpoint_trxframe(t_fileio
*fp
,t_trxframe
*fr
);
87 /* Print the complete contents of checkpoint file fn to out */
88 void list_checkpoint(const char *fn
,FILE *out
);
90 /* Read just the simulation 'generation' and with bAppendReq check files.
91 * This is necessary already at the beginning of mdrun,
92 * to be able to rename the logfile correctly.
93 * When file appending is requested, checks which output files are present:
94 * all present: return TRUE,
95 * none present: return FALSE,
96 * part present: fatal error.
97 * When TRUE is returned, bAddPart will tell whether the simulation part
98 * needs to be added to the output file name.
100 gmx_bool
read_checkpoint_simulation_part(const char *filename
,int *simulation_part
,
101 gmx_large_int_t
*step
,t_commrec
*cr
,
103 int nfile
,const t_filenm fnm
[],
104 const char *part_suffix
,gmx_bool
*bAddPart
);