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41 #include "../fileio/gmxfio.h"
42 #include "../fileio/filenm.h"
48 /* the name of the environment variable to disable fsync failure checks with */
49 #define GMX_IGNORE_FSYNC_FAILURE_ENV "GMX_IGNORE_FSYNC_FAILURE"
51 /* Write a checkpoint to <fn>.cpt
52 * Appends the _step<step>.cpt with bNumberAndKeep,
53 * otherwise moves the previous <fn>.cpt to <fn>_prev.cpt
55 void write_checkpoint(const char *fn, gmx_bool bNumberAndKeep,
56 FILE *fplog, t_commrec *cr,
57 int eIntegrator, int simulation_part,
58 gmx_bool bExpanded, int elamstats,
59 gmx_int64_t step, double t,
62 /* Loads a checkpoint from fn for run continuation.
63 * Generates a fatal error on system size mismatch.
64 * The master node reads the file
65 * and communicates all the modified number of steps and the parallel setup,
66 * but not the state itself.
67 * When bAppend is set, lock the log file and truncate the existing output
68 * files so they can be appended.
69 * With bAppend and bForceAppend: truncate anyhow if the system does not
70 * support file locking.
72 void load_checkpoint(const char *fn, FILE **fplog,
73 t_commrec *cr, gmx_bool bPartDecomp, ivec dd_nc,
74 t_inputrec *ir, t_state *state, gmx_bool *bReadRNG,
75 gmx_bool *bReadEkin, gmx_bool bAppend, gmx_bool bForceAppend);
77 /* Read the state from checkpoint file.
78 * Arrays in state that are NULL are allocated.
79 * If bReadRNG=TRUE a RNG state compatible with the current
80 * number of nodes was read.
82 void read_checkpoint_state(const char *fn, int *simulation_part,
83 gmx_int64_t *step, double *t, t_state *state);
85 /* Read everything that can be stored in t_trxframe from a checkpoint file */
86 void read_checkpoint_trxframe(t_fileio *fp, t_trxframe *fr);
88 /* Print the complete contents of checkpoint file fn to out */
89 void list_checkpoint(const char *fn, FILE *out);
91 /* Read just the simulation 'generation' and with bAppendReq check files.
92 * This is necessary already at the beginning of mdrun,
93 * to be able to rename the logfile correctly.
94 * When file appending is requested, checks which output files are present:
95 * all present: return TRUE,
96 * none present: return FALSE,
97 * part present: fatal error.
98 * When TRUE is returned, bAddPart will tell whether the simulation part
99 * needs to be added to the output file name.
101 gmx_bool read_checkpoint_simulation_part(const char *filename, int *simulation_part,
102 gmx_int64_t *step, t_commrec *cr,
104 int nfile, const t_filenm fnm[],
105 const char *part_suffix, gmx_bool *bAddPart);