From 4bc2d6f33259f69fbc9a1f22313c4abeabb7f3f0 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Mon, 10 Jan 2011 20:22:06 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5519
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/lmptype.h  | 40 ++++++++++++++++++++++------------------
 src/thermo.cpp |  8 +++-----
 2 files changed, 25 insertions(+), 23 deletions(-)

diff --git a/src/lmptype.h b/src/lmptype.h
index ad29882261..5c5285be8a 100644
--- a/src/lmptype.h
+++ b/src/lmptype.h
@@ -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
diff --git a/src/thermo.cpp b/src/thermo.cpp
index 2c0dbe93fa..a9c846d7f4 100644
--- a/src/thermo.cpp
+++ b/src/thermo.cpp
@@ -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;