case etINT:
*pa[j].u.i = iscan(*argc, argv, &i);
break;
- case etGMX_LARGE_INT:
+ case etINT64:
*pa[j].u.is = istepscan(*argc, argv, &i);
break;
case etTIME:
/* This structure is used for parsing arguments off the comand line */
enum
{
- etINT, etGMX_LARGE_INT, etREAL, etTIME, etSTR, etBOOL, etRVEC, etENUM, etNR
+ etINT, etINT64, etREAL, etTIME, etSTR, etBOOL, etRVEC, etENUM, etNR
};
typedef struct
case etINT:
sprintf(buf, "%-d", *(pa->u.i));
break;
- case etGMX_LARGE_INT:
+ case etINT64:
sprintf(buf, "%" GMX_PRId64, *(pa->u.is));
break;
case etTIME:
sb->ival_alloc = sb->nr;
}
break;
- case xdr_datatype_large_int:
+ case xdr_datatype_int64:
if (sb->nr > sb->lval_alloc)
{
srenew(sb->lval, sb->nr);
{
*bOK = FALSE;
}
- if (!gmx_fio_do_gmx_large_int(ef->fio, fr->step))
+ if (!gmx_fio_do_int64(ef->fio, fr->step))
{
*bOK = FALSE;
}
}
if (*file_version >= 3)
{
- if (!gmx_fio_do_gmx_large_int(ef->fio, fr->nsteps))
+ if (!gmx_fio_do_int64(ef->fio, fr->nsteps))
{
*bOK = FALSE;
}
case xdr_datatype_int:
bOK1 = gmx_fio_ndo_int(ef->fio, sub->ival, sub->nr);
break;
- case xdr_datatype_large_int:
- bOK1 = gmx_fio_ndo_gmx_large_int(ef->fio, sub->lval, sub->nr);
+ case xdr_datatype_int64:
+ bOK1 = gmx_fio_ndo_int64(ef->fio, sub->lval, sub->nr);
break;
case xdr_datatype_char:
bOK1 = gmx_fio_ndo_uchar(ef->fio, sub->cval, sub->nr);
/* Enumerated for data types in files */
enum {
- eioREAL, eioFLOAT, eioDOUBLE, eioINT, eioGMX_LARGE_INT,
+ eioREAL, eioFLOAT, eioDOUBLE, eioINT, eioINT64,
eioUCHAR, eioNUCHAR, eioUSHORT,
eioRVEC, eioNRVEC, eioIVEC, eioSTRING, eioNR
};
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_reade_int(t_fileio *fio, int *item,
const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_reade_gmx_large_int(t_fileio *fio, gmx_int64_t *item,
- const char *desc, const char *srcfile, int line);
+gmx_bool gmx_fio_reade_int64(t_fileio *fio, gmx_int64_t *item,
+ const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_reade_uchar(t_fileio *fio, unsigned char *item,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_reade_ushort(t_fileio *fio, unsigned short *item,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_writee_int(t_fileio *fio, int item,
const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_writee_gmx_large_int(t_fileio *fio, gmx_int64_t item,
- const char *desc, const char *srcfile, int line);
+gmx_bool gmx_fio_writee_int64(t_fileio *fio, gmx_int64_t item,
+ const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_writee_uchar(t_fileio *fio, unsigned char item,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_writee_ushort(t_fileio *fio, unsigned short item,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_doe_int(t_fileio *fio, int *item,
const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_doe_gmx_large_int(t_fileio *fio, gmx_int64_t *item,
- const char *desc, const char *srcfile, int line);
+gmx_bool gmx_fio_doe_int64(t_fileio *fio, gmx_int64_t *item,
+ const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_doe_uchar(t_fileio *fio, unsigned char *item,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_doe_ushort(t_fileio *fio, unsigned short *item,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_nreade_int(t_fileio *fio, int *item, int n,
const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nreade_gmx_large_int(t_fileio *fio, gmx_int64_t *item, int n,
- const char *desc, const char *srcfile,
- int line);
+gmx_bool gmx_fio_nreade_int64(t_fileio *fio, gmx_int64_t *item, int n,
+ const char *desc, const char *srcfile,
+ int line);
gmx_bool gmx_fio_nreade_uchar(t_fileio *fio, unsigned char *item, int n,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_nreade_ushort(t_fileio *fio, unsigned short *item, int n,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_nwritee_int(t_fileio *fio, const int *item, int n,
const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_nwritee_gmx_large_int(t_fileio *fio,
- const gmx_int64_t *item, int n,
- const char *desc, const char *srcfile,
- int line);
+gmx_bool gmx_fio_nwritee_int64(t_fileio *fio,
+ const gmx_int64_t *item, int n,
+ const char *desc, const char *srcfile,
+ int line);
gmx_bool gmx_fio_nwritee_uchar(t_fileio *fio, const unsigned char *item, int n,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_nwritee_ushort(t_fileio *fio, const unsigned short *item, int n,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_ndoe_int(t_fileio *fio, int *item, int n,
const char *desc, const char *srcfile, int line);
-gmx_bool gmx_fio_ndoe_gmx_large_int(t_fileio *fio, gmx_int64_t *item, int n,
- const char *desc, const char *srcfile,
- int line);
+gmx_bool gmx_fio_ndoe_int64(t_fileio *fio, gmx_int64_t *item, int n,
+ const char *desc, const char *srcfile,
+ int line);
gmx_bool gmx_fio_ndoe_uchar(t_fileio *fio, unsigned char *item, int n,
const char *desc, const char *srcfile, int line);
gmx_bool gmx_fio_ndoe_ushort(t_fileio *fio, unsigned short *item, int n,
#define gmx_fio_read_float(fio, item) gmx_fio_reade_float(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_read_double(fio, item) gmx_fio_reade_double(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_read_int(fio, item) gmx_fio_reade_int(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_read_gmx_large_int(fio, item) gmx_fio_reade_gmx_large_int(fio, &item, (#item), __FILE__, __LINE__)
+#define gmx_fio_read_int64(fio, item) gmx_fio_reade_int64(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_read_uchar(fio, item) gmx_fio_reade_uchar(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_read_ushort(fio, item) gmx_fio_reade_ushort(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_read_rvec(fio, item) gmx_fio_reade_rvec(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_write_float(fio, item) gmx_fio_writee_float(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_write_double(fio, item) gmx_fio_writee_double(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_write_int(fio, item) gmx_fio_writee_int(fio, item, (#item), __FILE__, __LINE__)
-#define gmx_fio_write_gmx_large_int(fio, item) gmx_fio_writee_gmx_large_int(fio, item, (#item), __FILE__, __LINE__)
+#define gmx_fio_write_int64(fio, item) gmx_fio_writee_int64(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_write_uchar(fio, item) gmx_fio_writee_uchar(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_write_ushort(fio, item) gmx_fio_writee_ushort(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_write_rvec(fio, item) gmx_fio_writee_rvec(fio, item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_real(fio, item) gmx_fio_doe_real(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_float(fio, item) gmx_fio_doe_float(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_double(fio, item) gmx_fio_doe_double(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_do_gmx_bool(fio, item) gmx_fio_doe_gmx_bool(fio, &item, (#item), __FILE__, __LINE__)
+#define gmx_fio_do_gmx_bool(fio, item) gmx_fio_doe_gmx_bool(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_int(fio, item) gmx_fio_doe_int(fio, &item, (#item), __FILE__, __LINE__)
-#define gmx_fio_do_gmx_large_int(fio, item) gmx_fio_doe_gmx_large_int(fio, &item, (#item), __FILE__, __LINE__)
+#define gmx_fio_do_int64(fio, item) gmx_fio_doe_int64(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_uchar(fio, item) gmx_fio_doe_uchar(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_ushort(fio, item) gmx_fio_doe_ushort(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_do_rvec(fio, item) gmx_fio_doe_rvec(fio, &item, (#item), __FILE__, __LINE__)
#define gmx_fio_nread_float(fio, item, n) gmx_fio_nreade_float(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nread_double(fio, item, n) gmx_fio_nreade_double(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nread_int(fio, item, n) gmx_fio_nreade_int(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nread_gmx_large_int(fio, item, n) gmx_fio_nreade_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
+#define gmx_fio_nread_int64(fio, item, n) gmx_fio_nreade_int64(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nread_uchar(fio, item, n) gmx_fio_nreade_uchar(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nread_ushort(fio, item, n) gmx_fio_nreade_ushort(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nread_rvec(fio, item, n) gmx_fio_nreade_rvec(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nwrite_float(fio, item, n) gmx_fio_nwritee_float(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nwrite_double(fio, item, n) gmx_fio_nwritee_double(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nwrite_int(fio, item, n) gmx_fio_nwritee_int(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_nwrite_gmx_large_int(fio, item, n) gmx_fio_nwritee_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
+#define gmx_fio_nwrite_int64(fio, item, n) gmx_fio_nwritee_int64(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nwrite_uchar(fio, item, n) gmx_fio_nwritee_uchar(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nwrite_ushort(fio, item, n) gmx_fio_nwritee_ushort(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_nwrite_rvec(fio, item, n) gmx_fio_nwritee_rvec(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_real(fio, item, n) gmx_fio_ndoe_real(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_float(fio, item, n) gmx_fio_ndoe_float(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_double(fio, item, n) gmx_fio_ndoe_double(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_ndo_gmx_bool(fio, item, n) gmx_fio_ndoe_gmx_bool(fio, item, n, (#item), __FILE__, __LINE__)
+#define gmx_fio_ndo_gmx_bool(fio, item, n) gmx_fio_ndoe_gmx_bool(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_int(fio, item, n) gmx_fio_ndoe_int(fio, item, n, (#item), __FILE__, __LINE__)
-#define gmx_fio_ndo_gmx_large_int(fio, item, n) gmx_fio_ndoe_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
+#define gmx_fio_ndo_int64(fio, item, n) gmx_fio_ndoe_int64(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_uchar(fio, item, n) gmx_fio_ndoe_uchar(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_ushort(fio, item, n) gmx_fio_ndoe_ushort(fio, item, n, (#item), __FILE__, __LINE__)
#define gmx_fio_ndo_rvec(fio, item, n) gmx_fio_ndoe_rvec(fio, item, n, (#item), __FILE__, __LINE__)
desc,
buf));
break;
- case eioGMX_LARGE_INT:
+ case eioINT64:
sprintf(strbuf, "%s%s%s", "%", GMX_PRId64, "\n");
res = fprintf(fp, strbuf, *((gmx_int64_t *) item),
gmx_fio_dbgstr(fio, desc, buf));
*((int *) item) = i;
}
break;
- case eioGMX_LARGE_INT:
+ case eioINT64:
res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN),
"%"GMX_SCNd64, &s);
if (item)
case eioINT:
size = sizeof(int);
break;
- case eioGMX_LARGE_INT:
+ case eioINT64:
size = sizeof(gmx_int64_t);
break;
case eioUCHAR:
case eioINT:
size = sizeof(int);
break;
- case eioGMX_LARGE_INT:
+ case eioINT64:
size = sizeof(gmx_int64_t);
break;
case eioUCHAR:
return ret;
}
-gmx_bool gmx_fio_reade_gmx_large_int(t_fileio *fio, gmx_int64_t *item,
- const char *desc, const char *srcfile, int line)
+gmx_bool gmx_fio_reade_int64(t_fileio *fio, gmx_int64_t *item,
+ const char *desc, const char *srcfile, int line)
{
gmx_bool ret;
gmx_fio_lock(fio);
- ret = fio->iotp->nread(fio, item, 1, eioGMX_LARGE_INT, desc, srcfile, line);
+ ret = fio->iotp->nread(fio, item, 1, eioINT64, desc, srcfile, line);
gmx_fio_unlock(fio);
return ret;
}
return ret;
}
-gmx_bool gmx_fio_writee_gmx_large_int(t_fileio *fio, gmx_int64_t item,
- const char *desc, const char *srcfile, int line)
+gmx_bool gmx_fio_writee_int64(t_fileio *fio, gmx_int64_t item,
+ const char *desc, const char *srcfile, int line)
{
gmx_bool ret;
gmx_fio_lock(fio);
- ret = fio->iotp->nwrite(fio, &item, 1, eioGMX_LARGE_INT, desc, srcfile, line);
+ ret = fio->iotp->nwrite(fio, &item, 1, eioINT64, desc, srcfile, line);
gmx_fio_unlock(fio);
return ret;
}
return ret;
}
-gmx_bool gmx_fio_doe_gmx_large_int(t_fileio *fio, gmx_int64_t *item,
- const char *desc, const char *srcfile, int line)
+gmx_bool gmx_fio_doe_int64(t_fileio *fio, gmx_int64_t *item,
+ const char *desc, const char *srcfile, int line)
{
gmx_bool ret;
gmx_fio_lock(fio);
if (fio->bRead)
{
- ret = fio->iotp->nread(fio, item, 1, eioGMX_LARGE_INT, desc, srcfile, line);
+ ret = fio->iotp->nread(fio, item, 1, eioINT64, desc, srcfile, line);
}
else
{
- ret = fio->iotp->nwrite(fio, item, 1, eioGMX_LARGE_INT, desc, srcfile, line);
+ ret = fio->iotp->nwrite(fio, item, 1, eioINT64, desc, srcfile, line);
}
gmx_fio_unlock(fio);
return ret;
return ret;
}
-gmx_bool gmx_fio_nreade_gmx_large_int(t_fileio *fio, gmx_int64_t *item, int n,
- const char *desc, const char *srcfile, int line)
+gmx_bool gmx_fio_nreade_int64(t_fileio *fio, gmx_int64_t *item, int n,
+ const char *desc, const char *srcfile, int line)
{
gmx_bool ret = TRUE;
int i;
gmx_fio_lock(fio);
for (i = 0; i < n; i++)
{
- ret = ret && fio->iotp->nread(fio, &(item[i]), 1, eioGMX_LARGE_INT, desc,
+ ret = ret && fio->iotp->nread(fio, &(item[i]), 1, eioINT64, desc,
srcfile, line);
}
gmx_fio_unlock(fio);
return ret;
}
-gmx_bool gmx_fio_nwritee_gmx_large_int(t_fileio *fio,
- const gmx_int64_t *item, int n,
- const char *desc, const char *srcfile, int line)
+gmx_bool gmx_fio_nwritee_int64(t_fileio *fio,
+ const gmx_int64_t *item, int n,
+ const char *desc, const char *srcfile, int line)
{
gmx_bool ret = TRUE;
int i;
gmx_fio_lock(fio);
for (i = 0; i < n; i++)
{
- ret = ret && fio->iotp->nwrite(fio, &(item[i]), 1, eioGMX_LARGE_INT,
+ ret = ret && fio->iotp->nwrite(fio, &(item[i]), 1, eioINT64,
desc, srcfile, line);
}
gmx_fio_unlock(fio);
-gmx_bool gmx_fio_ndoe_gmx_large_int(t_fileio *fio, gmx_int64_t *item, int n,
- const char *desc, const char *srcfile, int line)
+gmx_bool gmx_fio_ndoe_int64(t_fileio *fio, gmx_int64_t *item, int n,
+ const char *desc, const char *srcfile, int line)
{
gmx_bool ret = TRUE;
int i;
{
if (fio->bRead)
{
- ret = ret && fio->iotp->nread(fio, &(item[i]), 1, eioGMX_LARGE_INT, desc,
+ ret = ret && fio->iotp->nread(fio, &(item[i]), 1, eioINT64, desc,
srcfile, line);
}
else
{
- ret = ret && fio->iotp->nwrite(fio, &(item[i]), 1, eioGMX_LARGE_INT, desc,
+ ret = ret && fio->iotp->nwrite(fio, &(item[i]), 1, eioINT64, desc,
srcfile, line);
}
}
*(int *) item = idum;
}
break;
- case eioGMX_LARGE_INT:
+ case eioINT64:
if (item && !fio->bRead)
{
sdum = *(gmx_int64_t *) item;
}
- res = xdr_gmx_large_int(fio->xdr, &sdum);
+ res = xdr_int64(fio->xdr, &sdum);
if (item)
{
*(gmx_int64_t *) item = sdum;
gmx_fio_do_int(fio, ir->eI);
if (file_version >= 62)
{
- gmx_fio_do_gmx_large_int(fio, ir->nsteps);
+ gmx_fio_do_int64(fio, ir->nsteps);
}
else
{
{
if (file_version >= 62)
{
- gmx_fio_do_gmx_large_int(fio, ir->init_step);
+ gmx_fio_do_int64(fio, ir->init_step);
}
else
{
xdr_datatype_int,
xdr_datatype_float,
xdr_datatype_double,
- xdr_datatype_large_int,
+ xdr_datatype_int64,
xdr_datatype_char,
xdr_datatype_string
} xdr_datatype;
#endif
}
-int xdr_gmx_large_int(XDR *xdrs, gmx_int64_t *i)
+int xdr_int64(XDR *xdrs, gmx_int64_t *i)
{
/* This routine stores values compatible with xdr_int64_t */
int xdr3drcoord(XDR *xdrs, real *fp, int *size, real *precision);
-int xdr_gmx_large_int(XDR *xdrs, gmx_int64_t *i);
+int xdr_int64(XDR *xdrs, gmx_int64_t *i);
/* Read or write a gmx_int64_t value.
* When warn!=NULL a warning will be written to stderr
* when a value does not fit,
/* check the block types etc. */
if ( (blk->nsub < 2) ||
(blk->sub[0].type != xdr_datatype_double) ||
- (blk->sub[1].type != xdr_datatype_large_int) ||
+ (blk->sub[1].type != xdr_datatype_int64) ||
(blk->sub[0].nr < 2) ||
(blk->sub[1].nr < 2) )
{
/* check the block types etc. */
if ( (blk->nsub < 2) ||
(blk->sub[0].type != xdr_datatype_double) ||
- (blk->sub[1].type != xdr_datatype_large_int) ||
+ (blk->sub[1].type != xdr_datatype_int64) ||
(blk->sub[0].nr < 2) ||
(blk->sub[1].nr < 2) )
{
{ "-ntpr", FALSE, etINT, {&ntprs},
"Number of [TT].tpr[tt] files to benchmark. Create this many files with different rcoulomb scaling factors depending on -rmin and -rmax. "
"If < 1, automatically choose the number of [TT].tpr[tt] files to test" },
- { "-steps", FALSE, etGMX_LARGE_INT, {&bench_nsteps},
+ { "-steps", FALSE, etINT64, {&bench_nsteps},
"Take timings for this many steps in the benchmark runs" },
{ "-resetstep", FALSE, etINT, {&presteps},
"Let dlb equilibrate this many steps before timings are taken (reset cycle counters after this many steps)" },
- { "-simsteps", FALSE, etGMX_LARGE_INT, {&new_sim_nsteps},
+ { "-simsteps", FALSE, etINT64, {&new_sim_nsteps},
"If non-negative, perform this many steps in the real run (overwrites nsteps from [TT].tpr[tt], add [TT].cpt[tt] steps)" },
{ "-launch", FALSE, etBOOL, {&bLaunch},
"Launch the real simulation after optimization" },
bool_t res = 0;
char buf[STEPSTRSIZE];
- res = xdr_gmx_large_int(xd, i);
+ res = xdr_int64(xd, i);
if (res == 0)
{
cp_error();
sfree(ibuf);
}
-void check_multi_large_int(FILE *log, const gmx_multisim_t *ms,
- gmx_int64_t val, const char *name,
- gmx_bool bQuiet)
+void check_multi_int64(FILE *log, const gmx_multisim_t *ms,
+ gmx_int64_t val, const char *name,
+ gmx_bool bQuiet)
{
gmx_int64_t *ibuf;
int p;
}
#endif
-static char *gmx_large_int_str(gmx_int64_t i, char *buf)
-{
- sprintf(buf, "%"GMX_PRId64, i);
-
- return buf;
-}
-
void *save_malloc(const char *name, const char *file, int line, size_t size)
{
void *p;
{
if ((p = malloc(size)) == NULL)
{
- char cbuf[22];
gmx_fatal(errno, __FILE__, __LINE__,
- "Not enough memory. Failed to malloc %s bytes for %s\n"
+ "Not enough memory. Failed to malloc %"GMX_PRId64 " bytes for %s\n"
"(called from file %s, line %d)",
- gmx_large_int_str((gmx_int64_t)size, cbuf),
- name, file, line);
+ (gmx_int64_t)size, name, file, line);
}
(void) memset(p, 0, size);
}
}
if (p == NULL)
{
- char cbuf[22];
gmx_fatal(errno, __FILE__, __LINE__,
- "Not enough memory. Failed to realloc %s bytes for %s, %s=%x\n"
+ "Not enough memory. Failed to realloc %"GMX_PRId64 " bytes for %s, %s=%x\n"
"(called from file %s, line %d)",
- gmx_large_int_str((gmx_int64_t)size, cbuf),
- name, name, ptr, file, line);
+ (gmx_int64_t)size, name, name, ptr, file, line);
}
#ifdef DEBUG
log_action(1, name, file, line, 1, size, p);
fprintf(fp, "%-20s = %d\n", title, i);
}
-static void pr_gmx_large_int(FILE *fp, int indent, const char *title, gmx_int64_t i)
+static void pr_int64(FILE *fp, int indent, const char *title, gmx_int64_t i)
{
char buf[STEPSTRSIZE];
#define PS(t, s) pr_str(fp, indent, t, s)
#define PI(t, s) pr_int(fp, indent, t, s)
-#define PSTEP(t, s) pr_gmx_large_int(fp, indent, t, s)
+#define PSTEP(t, s) pr_int64(fp, indent, t, s)
#define PR(t, s) pr_real(fp, indent, t, s)
#define PD(t, s) pr_double(fp, indent, t, s)
void check_multi_int(FILE *log, const gmx_multisim_t *ms,
int val, const char *name,
gmx_bool bQuiet);
-void check_multi_large_int(FILE *log, const gmx_multisim_t *ms,
- gmx_int64_t val, const char *name,
- gmx_bool bQuiet);
+void check_multi_int64(FILE *log, const gmx_multisim_t *ms,
+ gmx_int64_t val, const char *name,
+ gmx_bool bQuiet);
/* Check if val is the same on all processors for a mdrun -multi run
* The string name is used to print to the log file and in a fatal error
* if the val's don't match. If bQuiet is true and the check passes,
dh->subblock_meta_l[k++] = dh->derivative;
blk->sub[1].nr = nhist_written+3;
- blk->sub[1].type = xdr_datatype_large_int;
+ blk->sub[1].type = xdr_datatype_int64;
blk->sub[1].lval = dh->subblock_meta_l;
/* subblock 3 + 4 : the histogram data */
printf("%14d %10d\n", j, sb->ival[j]);
}
break;
- case xdr_datatype_large_int:
+ case xdr_datatype_int64:
for (j = 0; j < sb->nr; j++)
{
printf("%14d %s\n",
}
}
-static void cmp_gmx_large_int(FILE *fp, const char *s, gmx_int64_t i1, gmx_int64_t i2)
+static void cmp_int64(FILE *fp, const char *s, gmx_int64_t i1, gmx_int64_t i2)
{
if (i1 != i2)
{
* #define CIR(s) cmp_real(fp,"inputrec->"#s,0,ir1->##s,ir2->##s,ftol)
*/
cmp_int(fp, "inputrec->eI", -1, ir1->eI, ir2->eI);
- cmp_gmx_large_int(fp, "inputrec->nsteps", ir1->nsteps, ir2->nsteps);
- cmp_gmx_large_int(fp, "inputrec->init_step", ir1->init_step, ir2->init_step);
+ cmp_int64(fp, "inputrec->nsteps", ir1->nsteps, ir2->nsteps);
+ cmp_int64(fp, "inputrec->init_step", ir1->init_step, ir2->init_step);
cmp_int(fp, "inputrec->simulation_part", -1, ir1->simulation_part, ir2->simulation_part);
cmp_int(fp, "inputrec->ePBC", -1, ir1->ePBC, ir2->ePBC);
cmp_int(fp, "inputrec->bPeriodicMols", -1, ir1->bPeriodicMols, ir2->bPeriodicMols);
s2 = &(b2->sub[i]);
cmp_int(stdout, buf, -1, (int)s1->type, (int)s2->type);
- cmp_gmx_large_int(stdout, buf, s1->nr, s2->nr);
+ cmp_int64(stdout, buf, s1->nr, s2->nr);
if ((s1->type == s2->type) && (s1->nr == s2->nr))
{
s1->ival[k], s2->ival[k]);
}
break;
- case xdr_datatype_large_int:
+ case xdr_datatype_int64:
for (k = 0; k < s1->nr; k++)
{
- cmp_gmx_large_int(stdout, buf,
- s1->lval[k], s2->lval[k]);
+ cmp_int64(stdout, buf,
+ s1->lval[k], s2->lval[k]);
}
break;
case xdr_datatype_char:
"Keep and number checkpoint files" },
{ "-append", FALSE, etBOOL, {&bAppendFiles},
"Append to previous output files when continuing from checkpoint instead of adding the simulation part number to all file names" },
- { "-nsteps", FALSE, etGMX_LARGE_INT, {&nsteps},
+ { "-nsteps", FALSE, etINT64, {&nsteps},
"Run this number of steps, overrides .mdp file option" },
{ "-maxh", FALSE, etREAL, {&max_hours},
"Terminate after 0.99 times this time (hours)" },
check_multi_int(fplog, ms, state->natoms, "the number of atoms", FALSE);
check_multi_int(fplog, ms, ir->eI, "the integrator", FALSE);
- check_multi_large_int(fplog, ms, ir->init_step+ir->nsteps, "init_step+nsteps", FALSE);
- check_multi_large_int(fplog, ms, (ir->init_step+nst-1)/nst,
- "first exchange step: init_step/-replex", FALSE);
+ check_multi_int64(fplog, ms, ir->init_step+ir->nsteps, "init_step+nsteps", FALSE);
+ check_multi_int64(fplog, ms, (ir->init_step+nst-1)/nst,
+ "first exchange step: init_step/-replex", FALSE);
check_multi_int(fplog, ms, ir->etc, "the temperature coupling", FALSE);
check_multi_int(fplog, ms, ir->opts.ngtc,
"the number of temperature coupling groups", FALSE);