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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5519 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-01-10 20:22:06 +00:00
parent 55990d87cb
commit 4bc2d6f332
2 changed files with 25 additions and 23 deletions
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40
src/lmptype.h
View File

@ -28,12 +28,16 @@
// MPI_LMP_TAGINT = MPI data type corresponding to tagint
// MPI_LMP_BIGINT = MPI data type corresponding to bigint
// NOTE: you may need to set MPI_LMP_BIGINT to MPI_LONG
// if your machine/MPI does not support "long long" data types
// NOTE:
// if your machine/MPI does not support "long long" data types,
// but only "long" data types, then you will need to set
// MPI_LMP_BIGINT to MPI_LONG, LLONG_MAX to LONG_MAX, and "lld" to "ld"
#ifndef LMP_LMPTYPE_H
#define LMP_LMPTYPE_H
#include "limits.h"
#include "stdint.h"
namespace LAMMPS_NS {
@ -45,17 +49,17 @@ typedef int smallint;
typedef int tagint;
typedef int64_t bigint;
#define MAXSMALLINT 0x7FFFFFFF
#define MAXTAGINT 0x7FFFFFFF
#define MAXBIGINT 0x7FFFFFFFFFFFFFFFLL
#define MAXSMALLINT INT_MAX
#define MAXTAGINT INT_MAX
#define MAXBIGINT LLONG_MAX
#define MPI_LMP_TAGINT MPI_INT
#define MPI_LMP_BIGINT MPI_LONG_LONG
#define TAGINT_FORMAT "%d"
#define BIGINT_FORMAT "%ld"
#define BIGINT_FORMAT "%lld"
#define TAGINT_FORMAT_NL "%d\n"
#define BIGINT_FORMAT_NL "%ld\n"
#define BIGINT_FORMAT_NL "%lld\n"
// for molecular problems that exceed 2 billion (2^31) atoms
// 32-bit smallint, 64-bit tagint and bigint
@ -66,20 +70,20 @@ typedef int smallint;
typedef int64_t tagint;
typedef int64_t bigint;
#define MAXSMALLINT 0x7FFFFFFF
#define MAXTAGINT 0x7FFFFFFFFFFFFFFFLL
#define MAXBIGINT 0x7FFFFFFFFFFFFFFFLL
#define MAXSMALLINT INT_MAX
#define MAXTAGINT LLONG_MAX
#define MAXBIGINT LLONG_MAX
#define MPI_LMP_TAGINT MPI_LONG_LONG
#define MPI_LMP_BIGINT MPI_LONG_LONG
#define TAGINT_FORMAT "%ld"
#define BIGINT_FORMAT "%ld"
#define TAGINT_FORMAT_NL "%ld\n"
#define BIGINT_FORMAT_NL "%ld\n"
#define TAGINT_FORMAT "%lld"
#define BIGINT_FORMAT "%lld"
#define TAGINT_FORMAT_NL "%lld\n"
#define BIGINT_FORMAT_NL "%lld\n"
*/
// for machines that don't support 64-bit ints
// for machines that do not support 64-bit ints
// 32-bit smallint and tagint and bigint
/*
@ -87,9 +91,9 @@ typedef int smallint;
typedef int tagint;
typedef int bigint;
#define MAXSMALLINT 0x7FFFFFFF
#define MAXTAGINT 0x7FFFFFFF
#define MAXBIGINT 0x7FFFFFFF
#define MAXSMALLINT INT_MAX
#define MAXTAGINT INT_MAX
#define MAXBIGINT INT_MAX
#define MPI_LMP_TAGINT MPI_INT
#define MPI_LMP_BIGINT MPI_INT

8
src/thermo.cpp
View File

@ -509,16 +509,14 @@ void Thermo::modify_params(int narg, char **arg)
format_int_user = new char[n];
strcpy(format_int_user,arg[iarg+2]);
if (format_bigint_user) delete [] format_bigint_user;
n = strlen(format_int_user) + 2;
n = strlen(format_int_user) + 3;
format_bigint_user = new char[n];
char *ptr = strchr(format_int_user,'d');
if (ptr == NULL)
error->all("Thermo_modify int format does not contain d character");
*ptr = '\0';
if (sizeof(bigint) == 8)
sprintf(format_bigint_user,"%s%s%s",format_int_user,"ld",ptr+1);
else if (sizeof(bigint) == 4)
sprintf(format_bigint_user,"%s%s%s",format_int_user,"d",ptr+1);
sprintf(format_bigint_user,"%s%s%s",format_int_user,
BIGINT_FORMAT,ptr+1);
*ptr = 'd';
} else if (strcmp(arg[iarg+1],"float") == 0) {
if (format_float_user) delete [] format_float_user;