From 55e8b2bee6cf63d6461b56eaea1c989d2688a65c Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 5 Jan 2011 00:29:35 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5476
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/STUBS/mpi.cpp      | 18 +++++++++---------
 src/STUBS/mpi.h        |  2 +-
 src/compute_reduce.cpp |  4 ++--
 src/create_atoms.cpp   |  2 +-
 src/delete_atoms.cpp   |  2 +-
 src/delete_bonds.cpp   | 24 ++++++++++++------------
 src/displace_atoms.cpp |  2 +-
 src/displace_box.cpp   |  2 +-
 src/finish.cpp         |  2 +-
 src/group.cpp          |  4 ++--
 src/lammps.cpp         | 10 ++++++++++
 src/memory.cpp         | 13 +------------
 src/min.cpp            |  2 +-
 src/read_data.cpp      | 10 +++++-----
 src/read_restart.cpp   |  4 ++--
 src/replicate.cpp      |  2 +-
 src/thermo.cpp         |  2 +-
 src/write_restart.cpp  |  2 +-
 18 files changed, 53 insertions(+), 54 deletions(-)

diff --git a/src/STUBS/mpi.cpp b/src/STUBS/mpi.cpp
index e4f8d82fa6..5087707d5f 100644
--- a/src/STUBS/mpi.cpp
+++ b/src/STUBS/mpi.cpp
@@ -98,7 +98,7 @@ int MPI_Type_size(MPI_Datatype datatype, int *size)
   else if (datatype == MPI_DOUBLE) *size = sizeof(double);
   else if (datatype == MPI_CHAR) *size = sizeof(char);
   else if (datatype == MPI_BYTE) *size = sizeof(char);
-  else if (datatype == MPI_UNSIGNED_LONG) *size = sizeof(uint64_t);
+  else if (datatype == MPI_UNSIGNED_LONG_LONG) *size = sizeof(uint64_t);
   else if (datatype == MPI_DOUBLE_INT) *size = sizeof(double_int);
 }
 
@@ -261,7 +261,7 @@ int MPI_Allreduce(void *sendbuf, void *recvbuf, int count,
   else if (datatype == MPI_DOUBLE) n = count*sizeof(double);
   else if (datatype == MPI_CHAR) n = count*sizeof(char);
   else if (datatype == MPI_BYTE) n = count*sizeof(char);
-  else if (datatype == MPI_UNSIGNED_LONG) n = count*sizeof(uint64_t);
+  else if (datatype == MPI_UNSIGNED_LONG_LONG) n = count*sizeof(uint64_t);
   else if (datatype == MPI_DOUBLE_INT) n = count*sizeof(double_int);
 
   memcpy(recvbuf,sendbuf,n);
@@ -282,7 +282,7 @@ int MPI_Reduce(void *sendbuf, void *recvbuf, int count,
   else if (datatype == MPI_DOUBLE) n = count*sizeof(double);
   else if (datatype == MPI_CHAR) n = count*sizeof(char);
   else if (datatype == MPI_BYTE) n = count*sizeof(char);
-  else if (datatype == MPI_UNSIGNED_LONG) n = count*sizeof(uint64_t);
+  else if (datatype == MPI_UNSIGNED_LONG_LONG) n = count*sizeof(uint64_t);
   else if (datatype == MPI_DOUBLE_INT) n = count*sizeof(double_int);
 
   memcpy(recvbuf,sendbuf,n);
@@ -301,7 +301,7 @@ int MPI_Scan(void *sendbuf, void *recvbuf, int count,
   else if (datatype == MPI_DOUBLE) n = count*sizeof(double);
   else if (datatype == MPI_CHAR) n = count*sizeof(char);
   else if (datatype == MPI_BYTE) n = count*sizeof(char);
-  else if (datatype == MPI_UNSIGNED_LONG) n = count*sizeof(uint64_t);
+  else if (datatype == MPI_UNSIGNED_LONG_LONG) n = count*sizeof(uint64_t);
   else if (datatype == MPI_DOUBLE_INT) n = count*sizeof(double_int);
 
   memcpy(recvbuf,sendbuf,n);
@@ -322,7 +322,7 @@ int MPI_Allgather(void *sendbuf, int sendcount, MPI_Datatype sendtype,
   else if (sendtype == MPI_DOUBLE) n = sendcount*sizeof(double);
   else if (sendtype == MPI_CHAR) n = sendcount*sizeof(char);
   else if (sendtype == MPI_BYTE) n = sendcount*sizeof(char);
-  else if (sendtype == MPI_UNSIGNED_LONG) n = sendcount*sizeof(uint64_t);
+  else if (sendtype == MPI_UNSIGNED_LONG_LONG) n = sendcount*sizeof(uint64_t);
   else if (sendtype == MPI_DOUBLE_INT) n = sendcount*sizeof(double_int);
 
   memcpy(recvbuf,sendbuf,n);
@@ -343,7 +343,7 @@ int MPI_Allgatherv(void *sendbuf, int sendcount, MPI_Datatype sendtype,
   else if (sendtype == MPI_DOUBLE) n = sendcount*sizeof(double);
   else if (sendtype == MPI_CHAR) n = sendcount*sizeof(char);
   else if (sendtype == MPI_BYTE) n = sendcount*sizeof(char);
-  else if (sendtype == MPI_UNSIGNED_LONG) n = sendcount*sizeof(uint64_t);
+  else if (sendtype == MPI_UNSIGNED_LONG_LONG) n = sendcount*sizeof(uint64_t);
   else if (sendtype == MPI_DOUBLE_INT) n = sendcount*sizeof(double_int);
 
   memcpy(recvbuf,sendbuf,n);
@@ -363,7 +363,7 @@ int MPI_Reduce_scatter(void *sendbuf, void *recvbuf, int *recvcounts,
   else if (datatype == MPI_DOUBLE) n = *recvcounts*sizeof(double);
   else if (datatype == MPI_CHAR) n = *recvcounts*sizeof(char);
   else if (datatype == MPI_BYTE) n = *recvcounts*sizeof(char);
-  else if (datatype == MPI_UNSIGNED_LONG) n = *recvcounts*sizeof(uint64_t);
+  else if (datatype == MPI_UNSIGNED_LONG_LONG) n = *recvcounts*sizeof(uint64_t);
   else if (datatype == MPI_DOUBLE_INT) n = *recvcounts*sizeof(double_int);
 
   memcpy(recvbuf,sendbuf,n);
@@ -384,7 +384,7 @@ int MPI_Gather(void *sendbuf, int sendcount, MPI_Datatype sendtype,
   else if (sendtype == MPI_DOUBLE) n = sendcount*sizeof(double);
   else if (sendtype == MPI_CHAR) n = sendcount*sizeof(char);
   else if (sendtype == MPI_BYTE) n = sendcount*sizeof(char);
-  else if (sendtype == MPI_UNSIGNED_LONG) n = sendcount*sizeof(uint64_t);
+  else if (sendtype == MPI_UNSIGNED_LONG_LONG) n = sendcount*sizeof(uint64_t);
   else if (sendtype == MPI_DOUBLE_INT) n = sendcount*sizeof(double_int);
 
   memcpy(recvbuf,sendbuf,n);
@@ -405,7 +405,7 @@ int MPI_Gatherv(void *sendbuf, int sendcount, MPI_Datatype sendtype,
   else if (sendtype == MPI_DOUBLE) n = sendcount*sizeof(double);
   else if (sendtype == MPI_CHAR) n = sendcount*sizeof(char);
   else if (sendtype == MPI_BYTE) n = sendcount*sizeof(char);
-  else if (sendtype == MPI_UNSIGNED_LONG) n = sendcount*sizeof(uint64_t);
+  else if (sendtype == MPI_UNSIGNED_LONG_LONG) n = sendcount*sizeof(uint64_t);
   else if (sendtype == MPI_DOUBLE_INT) n = sendcount*sizeof(double_int);
 
   memcpy(recvbuf,sendbuf,n);
diff --git a/src/STUBS/mpi.h b/src/STUBS/mpi.h
index d9874d79ec..8c70c9f0fd 100644
--- a/src/STUBS/mpi.h
+++ b/src/STUBS/mpi.h
@@ -25,7 +25,7 @@
 #define MPI_DOUBLE 3
 #define MPI_CHAR 4
 #define MPI_BYTE 5
-#define MPI_UNSIGNED_LONG 6
+#define MPI_UNSIGNED_LONG_LONG 6
 #define MPI_DOUBLE_INT 7
 
 #define MPI_SUM 1
diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp
index 0e07f95dd1..db9c3b6a6b 100644
--- a/src/compute_reduce.cpp
+++ b/src/compute_reduce.cpp
@@ -604,7 +604,7 @@ bigint ComputeReduce::count(int m)
     } else if (flavor[m] == LOCAL) {
       bigint ncount = compute->size_local_rows;
       bigint ncountall;
-      MPI_Allreduce(&ncount,&ncountall,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+      MPI_Allreduce(&ncount,&ncountall,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
       return ncountall;
     }
   } else if (which[m] == FIX) {
@@ -614,7 +614,7 @@ bigint ComputeReduce::count(int m)
     } else if (flavor[m] == LOCAL) {
       bigint ncount = fix->size_local_rows;
       bigint ncountall;
-      MPI_Allreduce(&ncount,&ncountall,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+      MPI_Allreduce(&ncount,&ncountall,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
       return ncountall;
     }
   } else if (which[m] == VARIABLE)
diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp
index 5f54d8fe80..e895c68531 100644
--- a/src/create_atoms.cpp
+++ b/src/create_atoms.cpp
@@ -169,7 +169,7 @@ void CreateAtoms::command(int narg, char **arg)
   // new total # of atoms
 
   bigint nblocal = atom->nlocal;
-  MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
 
   // print status
 
diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp
index b2fec4e2a7..1fcf224b0f 100644
--- a/src/delete_atoms.cpp
+++ b/src/delete_atoms.cpp
@@ -93,7 +93,7 @@ void DeleteAtoms::command(int narg, char **arg)
   // set nghost to 0 so old ghosts of deleted atoms won't be mapped
 
   bigint nblocal = atom->nlocal;
-  MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   if (atom->map_style) {
     atom->nghost = 0;
     atom->map_init();
diff --git a/src/delete_bonds.cpp b/src/delete_bonds.cpp
index 424e39750a..3b8d7da8f3 100644
--- a/src/delete_bonds.cpp
+++ b/src/delete_bonds.cpp
@@ -341,14 +341,14 @@ void DeleteBonds::command(int narg, char **arg)
     if (atom->avec->bonds_allow) {
       bigint nbonds = 0;
       for (i = 0; i < nlocal; i++) nbonds += atom->num_bond[i];
-      MPI_Allreduce(&nbonds,&atom->nbonds,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+      MPI_Allreduce(&nbonds,&atom->nbonds,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
       if (force->newton_bond == 0) atom->nbonds /= 2;
     }
 
     if (atom->avec->angles_allow) {
       bigint nangles = 0;
       for (i = 0; i < nlocal; i++) nangles += atom->num_angle[i];
-      MPI_Allreduce(&nangles,&atom->nangles,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+      MPI_Allreduce(&nangles,&atom->nangles,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
       if (force->newton_bond == 0) atom->nangles /= 3;
     }
 
@@ -356,7 +356,7 @@ void DeleteBonds::command(int narg, char **arg)
       bigint ndihedrals = 0;
       for (i = 0; i < nlocal; i++) ndihedrals += atom->num_dihedral[i];
       MPI_Allreduce(&ndihedrals,&atom->ndihedrals,
-		    1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+		    1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
       if (force->newton_bond == 0) atom->ndihedrals /= 4;
     }
 
@@ -364,7 +364,7 @@ void DeleteBonds::command(int narg, char **arg)
       bigint nimpropers = 0;
       for (i = 0; i < nlocal; i++) nimpropers += atom->num_improper[i];
       MPI_Allreduce(&nimpropers,&atom->nimpropers,
-		    1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+		    1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
       if (force->newton_bond == 0) atom->nimpropers /= 4;
     }
 
@@ -384,9 +384,9 @@ void DeleteBonds::command(int narg, char **arg)
       for (m = 0; m < atom->num_bond[i]; m++)
 	if (atom->bond_type[i][m] > 0) bond_on++;
 	else bond_off++;
-    MPI_Allreduce(&bond_on,&tmp,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&bond_on,&tmp,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     bond_on = tmp;
-    MPI_Allreduce(&bond_off,&tmp,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&bond_off,&tmp,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     bond_off = tmp;
     if (force->newton_bond == 0) {
       bond_on /= 2;
@@ -400,9 +400,9 @@ void DeleteBonds::command(int narg, char **arg)
       for (m = 0; m < atom->num_angle[i]; m++)
 	if (atom->angle_type[i][m] > 0) angle_on++;
 	else angle_off++;
-    MPI_Allreduce(&angle_on,&tmp,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&angle_on,&tmp,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     angle_on = tmp;
-    MPI_Allreduce(&angle_off,&tmp,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&angle_off,&tmp,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     angle_off = tmp;
     if (force->newton_bond == 0) {
       angle_on /= 3;
@@ -416,9 +416,9 @@ void DeleteBonds::command(int narg, char **arg)
       for (m = 0; m < atom->num_dihedral[i]; m++)
 	if (atom->dihedral_type[i][m] > 0) dihedral_on++;
 	else dihedral_off++;
-    MPI_Allreduce(&dihedral_on,&tmp,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&dihedral_on,&tmp,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     dihedral_on = tmp;
-    MPI_Allreduce(&dihedral_off,&tmp,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&dihedral_off,&tmp,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     dihedral_off = tmp;
     if (force->newton_bond == 0) {
       dihedral_on /= 4;
@@ -432,9 +432,9 @@ void DeleteBonds::command(int narg, char **arg)
       for (m = 0; m < atom->num_improper[i]; m++)
 	if (atom->improper_type[i][m] > 0) improper_on++;
 	else improper_off++;
-    MPI_Allreduce(&improper_on,&tmp,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&improper_on,&tmp,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     improper_on = tmp;
-    MPI_Allreduce(&improper_off,&tmp,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&improper_off,&tmp,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     improper_off = tmp;
     if (force->newton_bond == 0) {
       improper_on /= 4;
diff --git a/src/displace_atoms.cpp b/src/displace_atoms.cpp
index bd9171106c..4a9be6df28 100644
--- a/src/displace_atoms.cpp
+++ b/src/displace_atoms.cpp
@@ -213,7 +213,7 @@ void DisplaceAtoms::command(int narg, char **arg)
 
   bigint natoms;
   bigint nblocal = atom->nlocal;
-  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   if (natoms != atom->natoms) {
     char str[128];
     sprintf(str,"Lost atoms via displace_atoms: original %lu current %lu",
diff --git a/src/displace_box.cpp b/src/displace_box.cpp
index a8b5b351f8..33d1a3137c 100644
--- a/src/displace_box.cpp
+++ b/src/displace_box.cpp
@@ -379,7 +379,7 @@ void DisplaceBox::command(int narg, char **arg)
 
   bigint natoms;
   bigint nblocal = atom->nlocal;
-  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   if (natoms != atom->natoms) {
     char str[128];
     sprintf(str,"Lost atoms via displace_box: original %lu current %lu",
diff --git a/src/finish.cpp b/src/finish.cpp
index 4512a3f97c..1292cc7bf7 100644
--- a/src/finish.cpp
+++ b/src/finish.cpp
@@ -87,7 +87,7 @@ void Finish::end(int flag)
     // use actual natoms, in case atoms were lost
 
     bigint nblocal = atom->nlocal;
-    MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+    MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
     
     if (me == 0) {
       if (screen) 
diff --git a/src/group.cpp b/src/group.cpp
index bd517d79e1..b2ee3c4afd 100644
--- a/src/group.cpp
+++ b/src/group.cpp
@@ -497,7 +497,7 @@ bigint Group::count(int igroup)
 
   bigint nsingle = n;
   bigint nall;
-  MPI_Allreduce(&nsingle,&nall,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nsingle,&nall,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   return nall;
 }
 
@@ -520,7 +520,7 @@ bigint Group::count(int igroup, int iregion)
 
   bigint nsingle = n;
   bigint nall;
-  MPI_Allreduce(&nsingle,&nall,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nsingle,&nall,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   return nall;
 }
 
diff --git a/src/lammps.cpp b/src/lammps.cpp
index 11c4a6b3c9..6b87c0a33b 100644
--- a/src/lammps.cpp
+++ b/src/lammps.cpp
@@ -241,6 +241,16 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
     }
   }
 
+  // check datatype sizes
+
+  if (sizeof(bigint) != 8)
+    error->all("No support for 8-byte unsigned integers");
+
+  int mpisize;
+  MPI_Type_size(MPI_UNSIGNED_LONG_LONG,&mpisize);
+  if (mpisize != 8)
+    error->all("MPI_UNSIGNED_LONG_LONG is not 8-byte data type");
+
   // allocate input class now that MPI is fully setup
 
   input = new Input(this,narg,arg);
diff --git a/src/memory.cpp b/src/memory.cpp
index c4eb9eba2a..df8cff685d 100644
--- a/src/memory.cpp
+++ b/src/memory.cpp
@@ -23,18 +23,7 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-Memory::Memory(LAMMPS *lmp) : Pointers(lmp)
-{
-  // check datatype sizes
-
-  if (sizeof(bigint) != 8)
-    error->all("No support for 8-byte unsigned integers");
-
-  int mpisize;
-  MPI_Type_size(MPI_UNSIGNED_LONG,&mpisize);
-  if (mpisize != 8)
-    error->all("MPI_UNSIGNED_LONG is not 8-byte data type");
-}
+Memory::Memory(LAMMPS *lmp) : Pointers(lmp) {}
 
 /* ----------------------------------------------------------------------
    safe malloc 
diff --git a/src/min.cpp b/src/min.cpp
index bbac6428e6..8f58ceae55 100644
--- a/src/min.cpp
+++ b/src/min.cpp
@@ -202,7 +202,7 @@ void Min::setup()
   bigint ndofme = 3*atom->nlocal;
   for (int m = 0; m < nextra_atom; m++)
     ndofme += extra_peratom[m]*atom->nlocal;
-  MPI_Allreduce(&ndofme,&ndoftotal,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&ndofme,&ndoftotal,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   ndoftotal += nextra_global;
 
   // setup domain, communication and neighboring
diff --git a/src/read_data.cpp b/src/read_data.cpp
index 7ed1e58492..f8229bdfd0 100644
--- a/src/read_data.cpp
+++ b/src/read_data.cpp
@@ -435,7 +435,7 @@ void ReadData::atoms()
   // check that all atoms were assigned correctly
 
   bigint tmp = atom->nlocal;
-  MPI_Allreduce(&tmp,&natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&tmp,&natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
 
   if (me == 0) {
     if (screen) fprintf(screen,"  %lu atoms\n",natoms);
@@ -568,7 +568,7 @@ void ReadData::bonds()
   bigint sum;
   bigint n = 0;
   for (i = 0; i < nlocal; i++) n += atom->num_bond[i];
-  MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   int factor = 1;
   if (!force->newton_bond) factor = 2;
 
@@ -613,7 +613,7 @@ void ReadData::angles()
   bigint sum;
   bigint n = 0;
   for (i = 0; i < nlocal; i++) n += atom->num_angle[i];
-  MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   int factor = 1;
   if (!force->newton_bond) factor = 3;
 
@@ -658,7 +658,7 @@ void ReadData::dihedrals()
   bigint sum;
   bigint n = 0;
   for (i = 0; i < nlocal; i++) n += atom->num_dihedral[i];
-  MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   int factor = 1;
   if (!force->newton_bond) factor = 4;
 
@@ -704,7 +704,7 @@ void ReadData::impropers()
   bigint sum;
   bigint n = 0;
   for (i = 0; i < nlocal; i++) n += atom->num_improper[i];
-  MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&n,&sum,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   int factor = 1;
   if (!force->newton_bond) factor = 4;
 
diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index 9e0bd656b1..f325bc67b2 100644
--- a/src/read_restart.cpp
+++ b/src/read_restart.cpp
@@ -293,7 +293,7 @@ void ReadRestart::command(int narg, char **arg)
 
   bigint natoms;
   bigint nblocal = atom->nlocal;
-  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
 
   if (me == 0) {
     if (screen) fprintf(screen,"  %lu atoms\n",natoms);
@@ -819,6 +819,6 @@ bigint ReadRestart::read_bigint()
 {
   bigint value;
   if (me == 0) fread(&value,sizeof(bigint),1,fp);
-  MPI_Bcast(&value,1,MPI_UNSIGNED_LONG,0,world);
+  MPI_Bcast(&value,1,MPI_UNSIGNED_LONG_LONG,0,world);
   return value;
 }
diff --git a/src/replicate.cpp b/src/replicate.cpp
index 9798b0a09b..a4e02bd12a 100644
--- a/src/replicate.cpp
+++ b/src/replicate.cpp
@@ -365,7 +365,7 @@ void Replicate::command(int narg, char **arg)
 
   bigint natoms;
   bigint nblocal = atom->nlocal;
-  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
 
   if (me == 0) {
     if (screen) fprintf(screen,"  %lu atoms\n",natoms);
diff --git a/src/thermo.cpp b/src/thermo.cpp
index 60997baf29..042a28fcea 100644
--- a/src/thermo.cpp
+++ b/src/thermo.cpp
@@ -353,7 +353,7 @@ bigint Thermo::lost_check()
 
   bigint ntotal;
   bigint nblocal = atom->nlocal;
-  MPI_Allreduce(&nblocal,&ntotal,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nblocal,&ntotal,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   if (ntotal == atom->natoms) return ntotal;
 
   // if not checking or already warned, just return
diff --git a/src/write_restart.cpp b/src/write_restart.cpp
index 44e3de2637..25cba1c04d 100644
--- a/src/write_restart.cpp
+++ b/src/write_restart.cpp
@@ -122,7 +122,7 @@ void WriteRestart::write(char *file)
   // if unequal and thermo lostflag is "error", don't write restart file
 
   bigint nblocal = atom->nlocal;
-  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
+  MPI_Allreduce(&nblocal,&natoms,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world);
   if (natoms != atom->natoms && output->thermo->lostflag == ERROR) 
     error->all("Atom count is inconsistent, cannot write restart file");