From 09c391fb2dbe670f1250d22edc3fed0169857be2 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 16 Mar 2011 20:03:49 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5793
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/ASPHERE/atom_vec_ellipsoid.cpp  | 26 ++++----
 src/ASPHERE/atom_vec_ellipsoid.h    |  2 +-
 src/COLLOID/atom_vec_colloid.cpp    | 24 +++----
 src/COLLOID/atom_vec_colloid.h      |  2 +-
 src/DIPOLE/atom_vec_dipole.cpp      | 26 ++++----
 src/DIPOLE/atom_vec_dipole.h        |  2 +-
 src/GRANULAR/atom_vec_granular.cpp  | 28 ++++----
 src/GRANULAR/atom_vec_granular.h    |  2 +-
 src/KSPACE/pppm.h                   |  1 -
 src/MANYBODY/fix_qeq_comb.h         |  1 -
 src/MOLECULE/atom_vec_angle.cpp     | 54 ++++++++--------
 src/MOLECULE/atom_vec_angle.h       |  2 +-
 src/MOLECULE/atom_vec_bond.cpp      | 35 +++++-----
 src/MOLECULE/atom_vec_bond.h        |  2 +-
 src/MOLECULE/atom_vec_full.cpp      | 99 +++++++++++++++--------------
 src/MOLECULE/atom_vec_full.h        |  2 +-
 src/MOLECULE/atom_vec_molecular.cpp | 97 ++++++++++++++--------------
 src/MOLECULE/atom_vec_molecular.h   |  2 +-
 src/PERI/atom_vec_peri.cpp          | 32 +++++-----
 src/PERI/atom_vec_peri.h            |  2 +-
 src/REAX/fix_reax_bonds.h           |  1 -
 src/REPLICA/fix_event_prd.h         |  1 -
 src/REPLICA/fix_event_tad.h         |  1 -
 src/SRD/fix_wall_srd.h              |  1 -
 src/XTC/dump_xtc.cpp                |  7 +-
 src/XTC/dump_xtc.h                  |  2 +-
 src/atom.cpp                        | 12 ++--
 src/atom.h                          |  3 +-
 src/atom_vec.h                      |  2 +-
 src/atom_vec_atomic.cpp             | 18 +++---
 src/atom_vec_atomic.h               |  2 +-
 src/atom_vec_charge.cpp             | 20 +++---
 src/atom_vec_charge.h               |  2 +-
 src/atom_vec_hybrid.cpp             |  4 +-
 src/atom_vec_hybrid.h               |  2 +-
 src/comm.cpp                        | 22 +++----
 src/comm.h                          |  2 +-
 src/compute.h                       |  1 -
 src/compute_reduce.h                |  1 -
 src/compute_reduce_region.h         |  1 -
 src/dump.cpp                        | 14 ++--
 src/dump.h                          |  3 +-
 src/dump_custom.cpp                 | 10 +--
 src/dump_custom.h                   |  2 +-
 src/dump_dcd.cpp                    |  6 +-
 src/dump_dcd.h                      |  2 +-
 src/fix.h                           |  1 -
 src/fix_ave_atom.h                  |  1 -
 src/fix_ave_correlate.h             |  1 -
 src/fix_ave_histo.h                 |  1 -
 src/fix_ave_spatial.h               |  1 -
 src/fix_ave_time.h                  |  1 -
 src/fix_dt_reset.h                  |  1 -
 src/fix_shake.h                     |  1 -
 src/force.cpp                       | 17 ++---
 src/force.h                         |  2 +-
 src/group.h                         |  1 -
 src/integrate.h                     |  3 +-
 src/irregular.cpp                   |  7 +-
 src/irregular.h                     |  2 +-
 src/lammps.h                        |  1 -
 src/memory.h                        | 44 ++++++++++++-
 src/min.h                           |  3 +-
 src/modify.cpp                      | 11 ++--
 src/modify.h                        |  3 +-
 src/neigh_list.cpp                  | 26 ++++----
 src/neigh_list.h                    |  2 +-
 src/neighbor.cpp                    | 18 +++---
 src/neighbor.h                      |  2 +-
 src/output.cpp                      |  6 +-
 src/output.h                        |  1 -
 src/pointers.h                      |  1 +
 src/read_restart.h                  |  1 -
 src/region.h                        |  1 -
 src/respa.cpp                       |  2 +-
 src/thermo.h                        |  1 -
 src/universe.h                      |  1 -
 src/update.cpp                      |  5 +-
 src/update.h                        |  3 +-
 src/write_restart.h                 |  1 -
 80 files changed, 391 insertions(+), 365 deletions(-)

diff --git a/src/ASPHERE/atom_vec_ellipsoid.cpp b/src/ASPHERE/atom_vec_ellipsoid.cpp
index 11e90e74d0..9a0b7d735f 100755
--- a/src/ASPHERE/atom_vec_ellipsoid.cpp
+++ b/src/ASPHERE/atom_vec_ellipsoid.cpp
@@ -879,24 +879,24 @@ int AtomVecEllipsoid::data_vel_hybrid(int m, char **values)
 }
 
 /* ----------------------------------------------------------------------
-   return # of bytes of allocated memory
+   return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecEllipsoid::memory_usage()
+bigint AtomVecEllipsoid::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("quat")) bytes += nmax*4 * sizeof(double);
-  if (atom->memcheck("angmom")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("torque")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("quat")) bytes += memory->usage(quat,nmax,4);
+  if (atom->memcheck("angmom")) bytes += memory->usage(angmom,nmax,3);
+  if (atom->memcheck("torque")) bytes += memory->usage(torque,nmax,3);
 
   return bytes;
 }
diff --git a/src/ASPHERE/atom_vec_ellipsoid.h b/src/ASPHERE/atom_vec_ellipsoid.h
index 4f6967f4bd..830e225003 100755
--- a/src/ASPHERE/atom_vec_ellipsoid.h
+++ b/src/ASPHERE/atom_vec_ellipsoid.h
@@ -57,7 +57,7 @@ class AtomVecEllipsoid : public AtomVec {
   int data_atom_hybrid(int, char **);
   void data_vel(int, char **);
   int data_vel_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/COLLOID/atom_vec_colloid.cpp b/src/COLLOID/atom_vec_colloid.cpp
index 601692ac72..001a8c8637 100644
--- a/src/COLLOID/atom_vec_colloid.cpp
+++ b/src/COLLOID/atom_vec_colloid.cpp
@@ -729,23 +729,23 @@ int AtomVecColloid::data_vel_hybrid(int m, char **values)
 }
 
 /* ----------------------------------------------------------------------
-   return # of bytes of allocated memory
+   return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecColloid::memory_usage()
+bigint AtomVecColloid::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("omega")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("torque")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("omega")) bytes += memory->usage(omega,nmax,3);
+  if (atom->memcheck("torque")) bytes += memory->usage(torque,nmax,3);
 
   return bytes;
 }
diff --git a/src/COLLOID/atom_vec_colloid.h b/src/COLLOID/atom_vec_colloid.h
index fa37121ab3..121cbc82d3 100644
--- a/src/COLLOID/atom_vec_colloid.h
+++ b/src/COLLOID/atom_vec_colloid.h
@@ -52,7 +52,7 @@ class AtomVecColloid : public AtomVec {
   void data_atom(double *, int, char **);
   void data_vel(int, char **);
   int data_vel_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/DIPOLE/atom_vec_dipole.cpp b/src/DIPOLE/atom_vec_dipole.cpp
index 4facc8c3a7..18985e8bb4 100644
--- a/src/DIPOLE/atom_vec_dipole.cpp
+++ b/src/DIPOLE/atom_vec_dipole.cpp
@@ -869,22 +869,22 @@ int AtomVecDipole::data_vel_hybrid(int m, char **values)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecDipole::memory_usage()
+bigint AtomVecDipole::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("q")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("mu")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("omega")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("torque")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
+  if (atom->memcheck("mu")) bytes += memory->usage(mu,nmax,3);
+  if (atom->memcheck("omega")) bytes += memory->usage(omega,nmax,3);
+  if (atom->memcheck("torque")) bytes += memory->usage(torque,nmax,3);
 
   return bytes;
 }
diff --git a/src/DIPOLE/atom_vec_dipole.h b/src/DIPOLE/atom_vec_dipole.h
index 5f8062fce0..010b1f5292 100644
--- a/src/DIPOLE/atom_vec_dipole.h
+++ b/src/DIPOLE/atom_vec_dipole.h
@@ -56,7 +56,7 @@ class AtomVecDipole : public AtomVec {
   int data_atom_hybrid(int, char **);
   void data_vel(int, char **);
   int data_vel_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/GRANULAR/atom_vec_granular.cpp b/src/GRANULAR/atom_vec_granular.cpp
index 960d70b078..652ea57bf7 100644
--- a/src/GRANULAR/atom_vec_granular.cpp
+++ b/src/GRANULAR/atom_vec_granular.cpp
@@ -1009,23 +1009,23 @@ int AtomVecGranular::data_vel_hybrid(int m, char **values)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecGranular::memory_usage()
+bigint AtomVecGranular::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("radius")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("density")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("rmass")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("omega")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("torque")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("radius")) bytes += memory->usage(radius,nmax);
+  if (atom->memcheck("density")) bytes += memory->usage(density,nmax);
+  if (atom->memcheck("rmass")) bytes += memory->usage(rmass,nmax);
+  if (atom->memcheck("omega")) bytes += memory->usage(omega,nmax,3);
+  if (atom->memcheck("torque")) bytes += memory->usage(torque,nmax,3);
 
   return bytes;
 }
diff --git a/src/GRANULAR/atom_vec_granular.h b/src/GRANULAR/atom_vec_granular.h
index 1f5b20a6fe..9e18ac8038 100644
--- a/src/GRANULAR/atom_vec_granular.h
+++ b/src/GRANULAR/atom_vec_granular.h
@@ -58,7 +58,7 @@ class AtomVecGranular : public AtomVec {
   int data_atom_hybrid(int, char **);
   void data_vel(int, char **);
   int data_vel_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   double PI;
diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h
index cb02853983..3577d6124c 100644
--- a/src/KSPACE/pppm.h
+++ b/src/KSPACE/pppm.h
@@ -20,7 +20,6 @@ KSpaceStyle(pppm,PPPM)
 #ifndef LMP_PPPM_H
 #define LMP_PPPM_H
 
-#include "lmptype.h"
 #include "kspace.h"
 
 namespace LAMMPS_NS {
diff --git a/src/MANYBODY/fix_qeq_comb.h b/src/MANYBODY/fix_qeq_comb.h
index be3d6b227b..f8ddd0018a 100644
--- a/src/MANYBODY/fix_qeq_comb.h
+++ b/src/MANYBODY/fix_qeq_comb.h
@@ -20,7 +20,6 @@ FixStyle(qeq/comb,FixQEQComb)
 #ifndef LMP_FIX_QEQ_COMB_H
 #define LMP_FIX_QEQ_COMB_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "fix.h"
 
diff --git a/src/MOLECULE/atom_vec_angle.cpp b/src/MOLECULE/atom_vec_angle.cpp
index 766dab3a60..6b2adfbdfa 100644
--- a/src/MOLECULE/atom_vec_angle.cpp
+++ b/src/MOLECULE/atom_vec_angle.cpp
@@ -11,7 +11,6 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include "lmptype.h"
 #include "stdlib.h"
 #include "atom_vec_angle.h"
 #include "atom.h"
@@ -795,37 +794,38 @@ int AtomVecAngle::data_atom_hybrid(int nlocal, char **values)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecAngle::memory_usage()
+bigint AtomVecAngle::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("molecule")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("nspecial")) bytes += nmax*3 * sizeof(int);
-  if (atom->memcheck("special")) bytes += nmax*atom->maxspecial * sizeof(int);
+  if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
+  if (atom->memcheck("nspecial")) bytes += memory->usage(nspecial,nmax,3);
+  if (atom->memcheck("special")) 
+    bytes += memory->usage(special,nmax,atom->maxspecial);
 
-  if (atom->memcheck("num_bond")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("bond_type"))
-    bytes += nmax*atom->bond_per_atom * sizeof(int);
-  if (atom->memcheck("bond_atom"))
-    bytes += nmax*atom->bond_per_atom * sizeof(int);
+  if (atom->memcheck("num_bond")) bytes += memory->usage(num_bond,nmax);
+  if (atom->memcheck("bond_type")) 
+    bytes += memory->usage(bond_type,nmax,atom->bond_per_atom);
+  if (atom->memcheck("bond_atom")) 
+    bytes += memory->usage(bond_atom,nmax,atom->bond_per_atom);
 
-  if (atom->memcheck("num_angle")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("angle_type"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom1"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom2"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom3"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
+  if (atom->memcheck("num_angle")) bytes += memory->usage(num_angle,nmax);
+  if (atom->memcheck("angle_type")) 
+    bytes += memory->usage(angle_type,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom1")) 
+    bytes += memory->usage(angle_atom1,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom2")) 
+    bytes += memory->usage(angle_atom2,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom3")) 
+    bytes += memory->usage(angle_atom3,nmax,atom->angle_per_atom);
 
   return bytes;
 }
diff --git a/src/MOLECULE/atom_vec_angle.h b/src/MOLECULE/atom_vec_angle.h
index 482c54ebc0..bd73a7ef38 100644
--- a/src/MOLECULE/atom_vec_angle.h
+++ b/src/MOLECULE/atom_vec_angle.h
@@ -50,7 +50,7 @@ class AtomVecAngle : public AtomVec {
   void create_atom(int, double *);
   void data_atom(double *, int, char **);
   int data_atom_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/MOLECULE/atom_vec_bond.cpp b/src/MOLECULE/atom_vec_bond.cpp
index 9d0ba86251..451e6ff87c 100644
--- a/src/MOLECULE/atom_vec_bond.cpp
+++ b/src/MOLECULE/atom_vec_bond.cpp
@@ -752,27 +752,28 @@ int AtomVecBond::data_atom_hybrid(int nlocal, char **values)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecBond::memory_usage()
+bigint AtomVecBond::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("molecule")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("nspecial")) bytes += nmax*3 * sizeof(int);
-  if (atom->memcheck("special")) bytes += nmax*atom->maxspecial * sizeof(int);
+  if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
+  if (atom->memcheck("nspecial")) bytes += memory->usage(nspecial,nmax,3);
+  if (atom->memcheck("special")) 
+    bytes += memory->usage(special,nmax,atom->maxspecial);
 
-  if (atom->memcheck("num_bond")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("bond_type"))
-    bytes += nmax*atom->bond_per_atom * sizeof(int);
-  if (atom->memcheck("bond_atom"))
-    bytes += nmax*atom->bond_per_atom * sizeof(int);
+  if (atom->memcheck("num_bond")) bytes += memory->usage(num_bond,nmax);
+  if (atom->memcheck("bond_type")) 
+    bytes += memory->usage(bond_type,nmax,atom->bond_per_atom);
+  if (atom->memcheck("bond_atom")) 
+    bytes += memory->usage(bond_atom,nmax,atom->bond_per_atom);
 
   return bytes;
 }
diff --git a/src/MOLECULE/atom_vec_bond.h b/src/MOLECULE/atom_vec_bond.h
index 8c5a8cade7..5a6648651c 100644
--- a/src/MOLECULE/atom_vec_bond.h
+++ b/src/MOLECULE/atom_vec_bond.h
@@ -50,7 +50,7 @@ class AtomVecBond : public AtomVec {
   void create_atom(int, double *);
   void data_atom(double *, int, char **);
   int data_atom_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/MOLECULE/atom_vec_full.cpp b/src/MOLECULE/atom_vec_full.cpp
index af09a8edba..26b2e99f82 100644
--- a/src/MOLECULE/atom_vec_full.cpp
+++ b/src/MOLECULE/atom_vec_full.cpp
@@ -963,62 +963,63 @@ int AtomVecFull::data_atom_hybrid(int nlocal, char **values)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecFull::memory_usage()
+bigint AtomVecFull::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("q")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("molecule")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("nspecial")) bytes += nmax*3 * sizeof(int);
-  if (atom->memcheck("special")) bytes += nmax*atom->maxspecial * sizeof(int);
+  if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
+  if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
+  if (atom->memcheck("nspecial")) bytes += memory->usage(nspecial,nmax,3);
+  if (atom->memcheck("special")) 
+    bytes += memory->usage(special,nmax,atom->maxspecial);
 
-  if (atom->memcheck("num_bond")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("bond_type"))
-    bytes += nmax*atom->bond_per_atom * sizeof(int);
-  if (atom->memcheck("bond_atom"))
-    bytes += nmax*atom->bond_per_atom * sizeof(int);
+  if (atom->memcheck("num_bond")) bytes += memory->usage(num_bond,nmax);
+  if (atom->memcheck("bond_type")) 
+    bytes += memory->usage(bond_type,nmax,atom->bond_per_atom);
+  if (atom->memcheck("bond_atom")) 
+    bytes += memory->usage(bond_atom,nmax,atom->bond_per_atom);
 
-  if (atom->memcheck("num_angle")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("angle_type"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom1"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom2"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom3"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
+  if (atom->memcheck("num_angle")) bytes += memory->usage(num_angle,nmax);
+  if (atom->memcheck("angle_type")) 
+    bytes += memory->usage(angle_type,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom1")) 
+    bytes += memory->usage(angle_atom1,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom2")) 
+    bytes += memory->usage(angle_atom2,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom3")) 
+    bytes += memory->usage(angle_atom3,nmax,atom->angle_per_atom);
 
-  if (atom->memcheck("num_dihedral")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("dihedral_type"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
-  if (atom->memcheck("dihedral_atom1"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
-  if (atom->memcheck("dihedral_atom2"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
-  if (atom->memcheck("dihedral_atom3"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
-  if (atom->memcheck("dihedral_atom4"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
+  if (atom->memcheck("num_dihedral")) bytes += memory->usage(num_dihedral,nmax);
+  if (atom->memcheck("dihedral_type")) 
+    bytes += memory->usage(dihedral_type,nmax,atom->dihedral_per_atom);
+  if (atom->memcheck("dihedral_atom1")) 
+    bytes += memory->usage(dihedral_atom1,nmax,atom->dihedral_per_atom);
+  if (atom->memcheck("dihedral_atom2")) 
+    bytes += memory->usage(dihedral_atom2,nmax,atom->dihedral_per_atom);
+  if (atom->memcheck("dihedral_atom3")) 
+    bytes += memory->usage(dihedral_atom3,nmax,atom->dihedral_per_atom);
+  if (atom->memcheck("dihedral_atom4")) 
+    bytes += memory->usage(dihedral_atom4,nmax,atom->dihedral_per_atom);
 
-  if (atom->memcheck("num_improper")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("improper_type"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
-  if (atom->memcheck("improper_atom1"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
-  if (atom->memcheck("improper_atom2"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
-  if (atom->memcheck("improper_atom3"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
-  if (atom->memcheck("improper_atom4"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
+  if (atom->memcheck("num_improper")) bytes += memory->usage(num_improper,nmax);
+  if (atom->memcheck("improper_type")) 
+    bytes += memory->usage(improper_type,nmax,atom->improper_per_atom);
+  if (atom->memcheck("improper_atom1")) 
+    bytes += memory->usage(improper_atom1,nmax,atom->improper_per_atom);
+  if (atom->memcheck("improper_atom2")) 
+    bytes += memory->usage(improper_atom2,nmax,atom->improper_per_atom);
+  if (atom->memcheck("improper_atom3")) 
+    bytes += memory->usage(improper_atom3,nmax,atom->improper_per_atom);
+  if (atom->memcheck("improper_atom4")) 
+    bytes += memory->usage(improper_atom4,nmax,atom->improper_per_atom);
 
   return bytes;
 }
diff --git a/src/MOLECULE/atom_vec_full.h b/src/MOLECULE/atom_vec_full.h
index 27c724e4bd..4fea6a5ea5 100644
--- a/src/MOLECULE/atom_vec_full.h
+++ b/src/MOLECULE/atom_vec_full.h
@@ -50,7 +50,7 @@ class AtomVecFull : public AtomVec {
   void create_atom(int, double *);
   void data_atom(double *, int, char **);
   int data_atom_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/MOLECULE/atom_vec_molecular.cpp b/src/MOLECULE/atom_vec_molecular.cpp
index 3e809184fa..ec039b7be2 100644
--- a/src/MOLECULE/atom_vec_molecular.cpp
+++ b/src/MOLECULE/atom_vec_molecular.cpp
@@ -944,61 +944,62 @@ int AtomVecMolecular::data_atom_hybrid(int nlocal, char **values)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecMolecular::memory_usage()
+bigint AtomVecMolecular::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("molecule")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("nspecial")) bytes += nmax*3 * sizeof(int);
-  if (atom->memcheck("special")) bytes += nmax*atom->maxspecial * sizeof(int);
+  if (atom->memcheck("molecule")) bytes += memory->usage(molecule,nmax);
+  if (atom->memcheck("nspecial")) bytes += memory->usage(nspecial,nmax,3);
+  if (atom->memcheck("special")) 
+    bytes += memory->usage(special,nmax,atom->maxspecial);
 
-  if (atom->memcheck("num_bond")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("bond_type"))
-    bytes += nmax*atom->bond_per_atom * sizeof(int);
-  if (atom->memcheck("bond_atom"))
-    bytes += nmax*atom->bond_per_atom * sizeof(int);
+  if (atom->memcheck("num_bond")) bytes += memory->usage(num_bond,nmax);
+  if (atom->memcheck("bond_type")) 
+    bytes += memory->usage(bond_type,nmax,atom->bond_per_atom);
+  if (atom->memcheck("bond_atom")) 
+    bytes += memory->usage(bond_atom,nmax,atom->bond_per_atom);
 
-  if (atom->memcheck("num_angle")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("angle_type"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom1"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom2"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
-  if (atom->memcheck("angle_atom3"))
-    bytes += nmax*atom->angle_per_atom * sizeof(int);
+  if (atom->memcheck("num_angle")) bytes += memory->usage(num_angle,nmax);
+  if (atom->memcheck("angle_type")) 
+    bytes += memory->usage(angle_type,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom1")) 
+    bytes += memory->usage(angle_atom1,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom2")) 
+    bytes += memory->usage(angle_atom2,nmax,atom->angle_per_atom);
+  if (atom->memcheck("angle_atom3")) 
+    bytes += memory->usage(angle_atom3,nmax,atom->angle_per_atom);
 
-  if (atom->memcheck("num_dihedral")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("dihedral_type"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
-  if (atom->memcheck("dihedral_atom1"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
-  if (atom->memcheck("dihedral_atom2"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
-  if (atom->memcheck("dihedral_atom3"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
-  if (atom->memcheck("dihedral_atom4"))
-    bytes += nmax*atom->dihedral_per_atom * sizeof(int);
+  if (atom->memcheck("num_dihedral")) bytes += memory->usage(num_dihedral,nmax);
+  if (atom->memcheck("dihedral_type")) 
+    bytes += memory->usage(dihedral_type,nmax,atom->dihedral_per_atom);
+  if (atom->memcheck("dihedral_atom1")) 
+    bytes += memory->usage(dihedral_atom1,nmax,atom->dihedral_per_atom);
+  if (atom->memcheck("dihedral_atom2")) 
+    bytes += memory->usage(dihedral_atom2,nmax,atom->dihedral_per_atom);
+  if (atom->memcheck("dihedral_atom3")) 
+    bytes += memory->usage(dihedral_atom3,nmax,atom->dihedral_per_atom);
+  if (atom->memcheck("dihedral_atom4")) 
+    bytes += memory->usage(dihedral_atom4,nmax,atom->dihedral_per_atom);
 
-  if (atom->memcheck("num_improper")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("improper_type"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
-  if (atom->memcheck("improper_atom1"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
-  if (atom->memcheck("improper_atom2"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
-  if (atom->memcheck("improper_atom3"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
-  if (atom->memcheck("improper_atom4"))
-    bytes += nmax*atom->improper_per_atom * sizeof(int);
+  if (atom->memcheck("num_improper")) bytes += memory->usage(num_improper,nmax);
+  if (atom->memcheck("improper_type")) 
+    bytes += memory->usage(improper_type,nmax,atom->improper_per_atom);
+  if (atom->memcheck("improper_atom1")) 
+    bytes += memory->usage(improper_atom1,nmax,atom->improper_per_atom);
+  if (atom->memcheck("improper_atom2")) 
+    bytes += memory->usage(improper_atom2,nmax,atom->improper_per_atom);
+  if (atom->memcheck("improper_atom3")) 
+    bytes += memory->usage(improper_atom3,nmax,atom->improper_per_atom);
+  if (atom->memcheck("improper_atom4")) 
+    bytes += memory->usage(improper_atom4,nmax,atom->improper_per_atom);
 
   return bytes;
 }
diff --git a/src/MOLECULE/atom_vec_molecular.h b/src/MOLECULE/atom_vec_molecular.h
index 7b0ab74e2d..2f1ce1006f 100644
--- a/src/MOLECULE/atom_vec_molecular.h
+++ b/src/MOLECULE/atom_vec_molecular.h
@@ -50,7 +50,7 @@ class AtomVecMolecular : public AtomVec {
   void create_atom(int, double *);
   void data_atom(double *, int, char **);
   int data_atom_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/PERI/atom_vec_peri.cpp b/src/PERI/atom_vec_peri.cpp
index 322fa56ca7..23be75893a 100644
--- a/src/PERI/atom_vec_peri.cpp
+++ b/src/PERI/atom_vec_peri.cpp
@@ -798,23 +798,23 @@ int AtomVecPeri::data_atom_hybrid(int nlocal, char **values)
    return # of bytes of allocated memory
 ------------------------------------------------------------------------- */
  
-double AtomVecPeri::memory_usage()
+bigint AtomVecPeri::memory_usage()
 {
-  double bytes = 0.0;
- 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
- 
-  if (atom->memcheck("vfrac")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("density")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("rmass")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("s0")) bytes += nmax * sizeof(double);
-  if (atom->memcheck("x0")) bytes += nmax*3 * sizeof(double);
+  bigint bytes = 0;
+
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
+
+  if (atom->memcheck("vfrac")) bytes += memory->usage(vfrac,nmax);
+  if (atom->memcheck("density")) bytes += memory->usage(density,nmax);
+  if (atom->memcheck("rmass")) bytes += memory->usage(rmass,nmax);
+  if (atom->memcheck("s0")) bytes += memory->usage(s0,nmax);
+  if (atom->memcheck("x0")) bytes += memory->usage(x0,nmax,3);
  
   return bytes;
 }
diff --git a/src/PERI/atom_vec_peri.h b/src/PERI/atom_vec_peri.h
index 36a1c9ab85..333e452b5a 100755
--- a/src/PERI/atom_vec_peri.h
+++ b/src/PERI/atom_vec_peri.h
@@ -52,7 +52,7 @@ class AtomVecPeri : public AtomVec {
   void create_atom(int, double *);
   void data_atom(double *, int, char **);
   int data_atom_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/REAX/fix_reax_bonds.h b/src/REAX/fix_reax_bonds.h
index 678984f022..a4c2f7098d 100644
--- a/src/REAX/fix_reax_bonds.h
+++ b/src/REAX/fix_reax_bonds.h
@@ -20,7 +20,6 @@ FixStyle(reax/bonds,FixReaxBonds)
 #ifndef LMP_FIX_REAX_BONDS_H
 #define LMP_FIX_REAX_BONDS_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "fix.h"
 
diff --git a/src/REPLICA/fix_event_prd.h b/src/REPLICA/fix_event_prd.h
index e5aaa8ccdc..b1312d8de8 100644
--- a/src/REPLICA/fix_event_prd.h
+++ b/src/REPLICA/fix_event_prd.h
@@ -20,7 +20,6 @@ FixStyle(EVENT/PRD,FixEventPRD)
 #ifndef LMP_FIX_EVENT_PRD_H
 #define LMP_FIX_EVENT_PRD_H
 
-#include "lmptype.h"
 #include "fix_event.h"
 
 namespace LAMMPS_NS {
diff --git a/src/REPLICA/fix_event_tad.h b/src/REPLICA/fix_event_tad.h
index ccd3c1cd4b..97e1ad29df 100644
--- a/src/REPLICA/fix_event_tad.h
+++ b/src/REPLICA/fix_event_tad.h
@@ -20,7 +20,6 @@ FixStyle(EVENT/TAD,FixEventTAD)
 #ifndef LMP_FIX_EVENT_TAD_H
 #define LMP_FIX_EVENT_TAD_H
 
-#include "lmptype.h"
 #include "fix_event.h"
 
 namespace LAMMPS_NS {
diff --git a/src/SRD/fix_wall_srd.h b/src/SRD/fix_wall_srd.h
index 2ad5fdcdfc..172451b45f 100644
--- a/src/SRD/fix_wall_srd.h
+++ b/src/SRD/fix_wall_srd.h
@@ -20,7 +20,6 @@ FixStyle(wall/srd,FixWallSRD)
 #ifndef LMP_FIX_WALL_SRD_H
 #define LMP_FIX_WALL_SRD_H
 
-#include "lmptype.h"
 #include "fix.h"
 
 namespace LAMMPS_NS {
diff --git a/src/XTC/dump_xtc.cpp b/src/XTC/dump_xtc.cpp
index 89ea2eb1c1..8ae59758c1 100644
--- a/src/XTC/dump_xtc.cpp
+++ b/src/XTC/dump_xtc.cpp
@@ -22,6 +22,7 @@
 			   support for groups
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "math.h"
 #include "stdio.h"
 #include "stdlib.h"
@@ -304,10 +305,10 @@ int DumpXTC::modify_param(int narg, char **arg)
    return # of bytes of allocated memory in buf and global coords array
 ------------------------------------------------------------------------- */
 
-double DumpXTC::memory_usage()
+bigint DumpXTC::memory_usage()
 {
-  double bytes = Dump::memory_usage();
-  bytes += 3*natoms * sizeof(float);
+  bigint bytes = Dump::memory_usage();
+  bytes += memory->usage(coords,natoms*3);
   return bytes;
 }
 
diff --git a/src/XTC/dump_xtc.h b/src/XTC/dump_xtc.h
index e1e2ca0254..5b43d2f46a 100644
--- a/src/XTC/dump_xtc.h
+++ b/src/XTC/dump_xtc.h
@@ -52,7 +52,7 @@ class DumpXTC : public Dump {
   int count();
   void pack(int *);
   void write_data(int, double *);
-  double memory_usage();
+  bigint memory_usage();
 
   void write_frame();
 };
diff --git a/src/atom.cpp b/src/atom.cpp
index 7db4daccd8..3d323c3c75 100644
--- a/src/atom.cpp
+++ b/src/atom.cpp
@@ -1612,21 +1612,25 @@ void *Atom::extract(char *name)
    add in global to local mapping storage
 ------------------------------------------------------------------------- */
 
-double Atom::memory_usage()
+bigint Atom::memory_usage()
 {
   memlength = DELTA_MEMSTR;
   memory->create(memstr,memlength,"atom:memstr");
   memstr[0] = '\0';
+  bigint bytes = avec->memory_usage();
+  memory->destroy(memstr);
 
-  double bytes = avec->memory_usage();
   if (map_style == 1)
-    bytes += map_tag_max * sizeof(int);
+    bytes += memory->usage(map_array,map_tag_max+1);
   else if (map_style == 2) {
     bytes += map_nbucket*sizeof(int);
     bytes += map_nhash*sizeof(HashElem);
   }
+  if (maxnext) {
+    bytes += memory->usage(next,maxnext);
+    bytes += memory->usage(permute,maxnext);
+  }
 
-  memory->destroy(memstr);
   return bytes;
 }
 
diff --git a/src/atom.h b/src/atom.h
index 8821e7c48c..9ffe4c1774 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -14,7 +14,6 @@
 #ifndef LMP_ATOM_H
 #define LMP_ATOM_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
@@ -160,7 +159,7 @@ class Atom : protected Pointers {
 
   void *extract(char *);
 
-  double memory_usage();
+  bigint memory_usage();
   int memcheck(const char *);
 
   // functions for global to local ID mapping
diff --git a/src/atom_vec.h b/src/atom_vec.h
index 2f139bd2b3..9f57ebacf9 100644
--- a/src/atom_vec.h
+++ b/src/atom_vec.h
@@ -78,7 +78,7 @@ class AtomVec : protected Pointers {
   virtual void data_vel(int, char **);
   virtual int data_vel_hybrid(int, char **) {return 0;}
 
-  virtual double memory_usage() = 0;
+  virtual bigint memory_usage() = 0;
 
  protected:
   int nmax;                             // local copy of atom->nmax
diff --git a/src/atom_vec_atomic.cpp b/src/atom_vec_atomic.cpp
index 26bd4d0738..9a814dda82 100644
--- a/src/atom_vec_atomic.cpp
+++ b/src/atom_vec_atomic.cpp
@@ -619,17 +619,17 @@ void AtomVecAtomic::data_atom(double *coord, int imagetmp, char **values)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecAtomic::memory_usage()
+bigint AtomVecAtomic::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
   return bytes;
 }
diff --git a/src/atom_vec_atomic.h b/src/atom_vec_atomic.h
index af7de46d80..a0700a26d2 100644
--- a/src/atom_vec_atomic.h
+++ b/src/atom_vec_atomic.h
@@ -48,7 +48,7 @@ class AtomVecAtomic : public AtomVec {
   int unpack_restart(double *);
   void create_atom(int, double *);
   void data_atom(double *, int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/atom_vec_charge.cpp b/src/atom_vec_charge.cpp
index 4f92be8aed..85ff93d2b0 100644
--- a/src/atom_vec_charge.cpp
+++ b/src/atom_vec_charge.cpp
@@ -673,19 +673,19 @@ int AtomVecCharge::data_atom_hybrid(int nlocal, char **values)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double AtomVecCharge::memory_usage()
+bigint AtomVecCharge::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
 
-  if (atom->memcheck("tag")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("type")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("mask")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("image")) bytes += nmax * sizeof(int);
-  if (atom->memcheck("x")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("v")) bytes += nmax*3 * sizeof(double);
-  if (atom->memcheck("f")) bytes += nmax*3 * sizeof(double);
+  if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
+  if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
+  if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
+  if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
+  if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
+  if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
+  if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
 
-  if (atom->memcheck("q")) bytes += nmax * sizeof(double);
+  if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
 
   return bytes;
 }
diff --git a/src/atom_vec_charge.h b/src/atom_vec_charge.h
index 20a1cd221c..80786edc48 100644
--- a/src/atom_vec_charge.h
+++ b/src/atom_vec_charge.h
@@ -50,7 +50,7 @@ class AtomVecCharge : public AtomVec {
   void create_atom(int, double *);
   void data_atom(double *, int, char **);
   int data_atom_hybrid(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp
index ef5808adb3..3e2cdac656 100644
--- a/src/atom_vec_hybrid.cpp
+++ b/src/atom_vec_hybrid.cpp
@@ -842,9 +842,9 @@ void AtomVecHybrid::data_vel(int m, char **values)
    return # of bytes of allocated memory
 ------------------------------------------------------------------------- */
 
-double AtomVecHybrid::memory_usage()
+bigint AtomVecHybrid::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
   for (int k = 0; k < nstyles; k++) bytes += styles[k]->memory_usage();
   return bytes;
 }
diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h
index 20114856eb..08f03c3612 100644
--- a/src/atom_vec_hybrid.h
+++ b/src/atom_vec_hybrid.h
@@ -55,7 +55,7 @@ class AtomVecHybrid : public AtomVec {
   void data_atom(double *, int, char **);
   int data_atom_hybrid(int, char **) {return 0;}
   void data_vel(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int *tag,*type,*mask,*image;
diff --git a/src/comm.cpp b/src/comm.cpp
index 10f81b6042..975799f373 100644
--- a/src/comm.cpp
+++ b/src/comm.cpp
@@ -15,6 +15,7 @@
    Contributing author (triclinic) : Pieter in 't Veld (SNL)
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "mpi.h"
 #include "math.h"
 #include "string.h"
@@ -75,11 +76,11 @@ Comm::Comm(LAMMPS *lmp) : Pointers(lmp)
   maxswap = 6;
   allocate_swap(maxswap);
 
-  sendlist = (int **) memory->smalloc(maxswap*sizeof(int *),"sendlist");
-  memory->create(maxsendlist,maxswap,"maxsendlist");
+  sendlist = (int **) memory->smalloc(maxswap*sizeof(int *),"comm:sendlist");
+  maxsendlist = new int[maxswap];
   for (int i = 0; i < maxswap; i++) {
     maxsendlist[i] = BUFMIN;
-    memory->create(sendlist[i],BUFMIN,"sendlist[i]");
+    memory->create(sendlist[i],BUFMIN,"comm:sendlist[i]");
   }
 
   maxforward_fix = maxreverse_fix = 0;
@@ -98,9 +99,9 @@ Comm::~Comm()
     memory->destroy(cutghostmulti);
   }
 
-  memory->destroy(maxsendlist);
   if (sendlist) for (int i = 0; i < maxswap; i++) memory->destroy(sendlist[i]);
   memory->sfree(sendlist);
+  delete [] maxsendlist;
 
   memory->destroy(buf_send);
   memory->destroy(buf_recv);
@@ -1280,13 +1281,12 @@ void Comm::set(int narg, char **arg)
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
-double Comm::memory_usage()
+bigint Comm::memory_usage()
 {
-  double bytes = 0.0;
-
-  for (int i = 0; i < nswap; i++) bytes += maxsendlist[i] * sizeof(int);
-  bytes += maxsend * sizeof(double);
-  bytes += maxrecv * sizeof(double);
-
+  bigint bytes = 0;
+  for (int i = 0; i < nswap; i++) 
+    bytes += memory->usage(sendlist[i],maxsendlist[i]);
+  bytes += memory->usage(buf_send,maxsend+BUFEXTRA);
+  bytes += memory->usage(buf_recv,maxrecv);
   return bytes;
 }
diff --git a/src/comm.h b/src/comm.h
index 1a5ad647f0..11b7e28b8a 100644
--- a/src/comm.h
+++ b/src/comm.h
@@ -53,7 +53,7 @@ class Comm : protected Pointers {
   void reverse_comm_compute(class Compute *);  // reverse comm from a Compute
 
   void set(int, char **);           // set communication style
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int style;                        // single vs multi-type comm
diff --git a/src/compute.h b/src/compute.h
index f7ece5d38a..ceacee82ac 100644
--- a/src/compute.h
+++ b/src/compute.h
@@ -14,7 +14,6 @@
 #ifndef LMP_COMPUTE_H
 #define LMP_COMPUTE_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
diff --git a/src/compute_reduce.h b/src/compute_reduce.h
index 04ffd40c63..4cf8ee513b 100644
--- a/src/compute_reduce.h
+++ b/src/compute_reduce.h
@@ -20,7 +20,6 @@ ComputeStyle(reduce,ComputeReduce)
 #ifndef LMP_COMPUTE_REDUCE_H
 #define LMP_COMPUTE_REDUCE_H
 
-#include "lmptype.h"
 #include "compute.h"
 
 namespace LAMMPS_NS {
diff --git a/src/compute_reduce_region.h b/src/compute_reduce_region.h
index a1b9ee1695..37abb3ea92 100644
--- a/src/compute_reduce_region.h
+++ b/src/compute_reduce_region.h
@@ -20,7 +20,6 @@ ComputeStyle(reduce/region,ComputeReduceRegion)
 #ifndef LMP_COMPUTE_REDUCE_REGION_H
 #define LMP_COMPUTE_REDUCE_REGION_H
 
-#include "lmptype.h"
 #include "compute_reduce.h"
 
 namespace LAMMPS_NS {
diff --git a/src/dump.cpp b/src/dump.cpp
index 14a9e4288f..ed97abf1f1 100644
--- a/src/dump.cpp
+++ b/src/dump.cpp
@@ -710,15 +710,15 @@ void Dump::modify_params(int narg, char **arg)
    return # of bytes of allocated memory
 ------------------------------------------------------------------------- */
 
-double Dump::memory_usage()
+bigint Dump::memory_usage()
 {
-  double bytes = maxbuf*size_one * sizeof(double);      // buf
+  bigint bytes = memory->usage(buf,size_one*maxbuf);
   if (sort_flag) {
-    if (sortcol == 0) bytes += maxids * sizeof(int);    // ids
-    bytes += maxsort*size_one * sizeof(double);         // bufsort
-    if (sortcol == 0) bytes += maxsort * sizeof(int);   // idsort
-    bytes += maxsort * sizeof(int);                     // index
-    bytes += maxproc * sizeof(int);                     // proclist
+    if (sortcol == 0) bytes += memory->usage(ids,maxids);
+    bytes += memory->usage(bufsort,size_one*maxsort);
+    if (sortcol == 0) bytes += memory->usage(idsort,maxsort);
+    bytes += memory->usage(index,maxsort);
+    bytes += memory->usage(proclist,maxproc);
     if (irregular) bytes += irregular->memory_usage();
   }
   return bytes;
diff --git a/src/dump.h b/src/dump.h
index 1dd7a6e5a9..83001d79f9 100644
--- a/src/dump.h
+++ b/src/dump.h
@@ -14,7 +14,6 @@
 #ifndef LMP_DUMP_H
 #define LMP_DUMP_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "pointers.h"
 
@@ -38,7 +37,7 @@ class Dump : protected Pointers {
   void init();
   virtual void write();
   void modify_params(int, char **);
-  virtual double memory_usage();
+  virtual bigint memory_usage();
 
  protected:
   int me,nprocs;             // proc info
diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp
index 3e0b2c192f..665bdbcbfa 100644
--- a/src/dump_custom.cpp
+++ b/src/dump_custom.cpp
@@ -1456,12 +1456,12 @@ int DumpCustom::modify_param(int narg, char **arg)
    return # of bytes of allocated memory in buf, choose, variable arrays
 ------------------------------------------------------------------------- */
 
-double DumpCustom::memory_usage()
+bigint DumpCustom::memory_usage()
 {
-  double bytes = Dump::memory_usage();
-  bytes += maxlocal * sizeof(int);
-  bytes += maxlocal * sizeof(double);
-  bytes += maxlocal * nvariable * sizeof(double);
+  bigint bytes = Dump::memory_usage();
+  bytes += memory->usage(choose,maxlocal);
+  bytes += memory->usage(dchoose,maxlocal);
+  bytes += memory->usage(vbuf,nvariable,maxlocal);
   return bytes;
 }
 
diff --git a/src/dump_custom.h b/src/dump_custom.h
index 0f7913272f..175629560d 100644
--- a/src/dump_custom.h
+++ b/src/dump_custom.h
@@ -74,7 +74,7 @@ class DumpCustom : public Dump {
   int count();
   void pack(int *);
   virtual void write_data(int, double *);
-  double memory_usage();
+  bigint memory_usage();
 
   void parse_fields(int, char **);
   int add_compute(char *);
diff --git a/src/dump_dcd.cpp b/src/dump_dcd.cpp
index ebf9e72e91..9fc73a45bd 100644
--- a/src/dump_dcd.cpp
+++ b/src/dump_dcd.cpp
@@ -279,10 +279,10 @@ int DumpDCD::modify_param(int narg, char **arg)
    return # of bytes of allocated memory in buf and global coords array
 ------------------------------------------------------------------------- */
 
-double DumpDCD::memory_usage()
+bigint DumpDCD::memory_usage()
 {
-  double bytes = Dump::memory_usage();
-  bytes += 3*natoms * sizeof(float);
+  bigint bytes = Dump::memory_usage();
+  bytes += memory->usage(coords,natoms*3);
   return bytes;
 }
 
diff --git a/src/dump_dcd.h b/src/dump_dcd.h
index c71f154acb..80598bd1dd 100644
--- a/src/dump_dcd.h
+++ b/src/dump_dcd.h
@@ -45,7 +45,7 @@ class DumpDCD : public Dump {
   void pack(int *);
   void write_data(int, double *);
   int modify_param(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 
   void write_frame();
   void write_dcd_header(const char *);
diff --git a/src/fix.h b/src/fix.h
index 4cd938e05b..1d5910969c 100644
--- a/src/fix.h
+++ b/src/fix.h
@@ -14,7 +14,6 @@
 #ifndef LMP_FIX_H
 #define LMP_FIX_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
diff --git a/src/fix_ave_atom.h b/src/fix_ave_atom.h
index 790b6252fd..1995134f6a 100644
--- a/src/fix_ave_atom.h
+++ b/src/fix_ave_atom.h
@@ -20,7 +20,6 @@ FixStyle(ave/atom,FixAveAtom)
 #ifndef LMP_FIX_AVE_ATOM_H
 #define LMP_FIX_AVE_ATOM_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "fix.h"
 
diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h
index ea8a5cb4ef..91f2491a08 100644
--- a/src/fix_ave_correlate.h
+++ b/src/fix_ave_correlate.h
@@ -20,7 +20,6 @@ FixStyle(ave/correlate,FixAveCorrelate)
 #ifndef LMP_FIX_AVE_CORRELATE_H
 #define LMP_FIX_AVE_CORRELATE_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "fix.h"
 
diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h
index c2c8702233..f365423109 100644
--- a/src/fix_ave_histo.h
+++ b/src/fix_ave_histo.h
@@ -20,7 +20,6 @@ FixStyle(ave/histo,FixAveHisto)
 #ifndef LMP_FIX_AVE_HISTO_H
 #define LMP_FIX_AVE_HISTO_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "fix.h"
 
diff --git a/src/fix_ave_spatial.h b/src/fix_ave_spatial.h
index 80dcee0049..fcf1bf0224 100644
--- a/src/fix_ave_spatial.h
+++ b/src/fix_ave_spatial.h
@@ -20,7 +20,6 @@ FixStyle(ave/spatial,FixAveSpatial)
 #ifndef LMP_FIX_AVE_SPATIAL_H
 #define LMP_FIX_AVE_SPATIAL_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "fix.h"
 
diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h
index fafd21e509..b59c2c3124 100644
--- a/src/fix_ave_time.h
+++ b/src/fix_ave_time.h
@@ -20,7 +20,6 @@ FixStyle(ave/time,FixAveTime)
 #ifndef LMP_FIX_AVE_TIME_H
 #define LMP_FIX_AVE_TIME_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "fix.h"
 
diff --git a/src/fix_dt_reset.h b/src/fix_dt_reset.h
index 095f8c9cac..956d35d1b4 100644
--- a/src/fix_dt_reset.h
+++ b/src/fix_dt_reset.h
@@ -20,7 +20,6 @@ FixStyle(dt/reset,FixDtReset)
 #ifndef LMP_FIX_DT_RESET_H
 #define LMP_FIX_DT_RESET_H
 
-#include "lmptype.h"
 #include "fix.h"
 
 namespace LAMMPS_NS {
diff --git a/src/fix_shake.h b/src/fix_shake.h
index ef061dc9df..eaf39837cb 100644
--- a/src/fix_shake.h
+++ b/src/fix_shake.h
@@ -20,7 +20,6 @@ FixStyle(shake,FixShake)
 #ifndef LMP_FIX_SHAKE_H
 #define LMP_FIX_SHAKE_H
 
-#include "lmptype.h"
 #include "fix.h"
 
 namespace LAMMPS_NS {
diff --git a/src/force.cpp b/src/force.cpp
index f70d67413e..a53ac9e25e 100644
--- a/src/force.cpp
+++ b/src/force.cpp
@@ -11,6 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "stdlib.h"
 #include "string.h"
 #include "ctype.h"
@@ -523,14 +524,14 @@ int Force::inumeric(char *str)
    memory usage of force classes
 ------------------------------------------------------------------------- */
 
-double Force::memory_usage()
+bigint Force::memory_usage()
 {
-  double bytes = 0.0;
-  if (pair) bytes += pair->memory_usage();
-  if (bond) bytes += bond->memory_usage();
-  if (angle) bytes += angle->memory_usage();
-  if (dihedral) bytes += dihedral->memory_usage();
-  if (improper) bytes += improper->memory_usage();
-  if (kspace) bytes += kspace->memory_usage();
+  bigint bytes = 0;
+  if (pair) bytes += static_cast<bigint> (pair->memory_usage());
+  if (bond) bytes += static_cast<bigint> (bond->memory_usage());
+  if (angle) bytes += static_cast<bigint> (angle->memory_usage());
+  if (dihedral) bytes += static_cast<bigint> (dihedral->memory_usage());
+  if (improper) bytes += static_cast<bigint> (improper->memory_usage());
+  if (kspace) bytes += static_cast<bigint> (kspace->memory_usage());
   return bytes;
 }
diff --git a/src/force.h b/src/force.h
index ef874845f6..ee6343db98 100644
--- a/src/force.h
+++ b/src/force.h
@@ -87,7 +87,7 @@ class Force : protected Pointers {
   void bounds(char *, int, int &, int &);
   double numeric(char *);
   int inumeric(char *);
-  double memory_usage();
+  bigint memory_usage();
 };
 
 }
diff --git a/src/group.h b/src/group.h
index 9621aa850f..da9e2e0c4f 100644
--- a/src/group.h
+++ b/src/group.h
@@ -14,7 +14,6 @@
 #ifndef LMP_GROUP_H
 #define LMP_GROUP_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "pointers.h"
 
diff --git a/src/integrate.h b/src/integrate.h
index d869ceac23..8f8942c80c 100644
--- a/src/integrate.h
+++ b/src/integrate.h
@@ -14,7 +14,6 @@
 #ifndef LMP_INTEGRATE_H
 #define LMP_INTEGRATE_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
@@ -29,7 +28,7 @@ class Integrate : protected Pointers {
   virtual void run(int) = 0;
   virtual void cleanup() {}
   virtual void reset_dt() {}
-  virtual double memory_usage() {return 0.0;}
+  virtual bigint memory_usage() {return 0;}
 
  protected:
   int eflag,vflag;                  // flags for energy/virial computation
diff --git a/src/irregular.cpp b/src/irregular.cpp
index 37af76759c..86258026ea 100644
--- a/src/irregular.cpp
+++ b/src/irregular.cpp
@@ -11,6 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "mpi.h"
 #include "stdlib.h"
 #include "string.h"
@@ -673,9 +674,9 @@ void Irregular::grow_recv(int n)
    return # of bytes of allocated memory
 ------------------------------------------------------------------------- */
 
-double Irregular::memory_usage()
+bigint Irregular::memory_usage()
 {
-  double bytes = maxsend * sizeof(double);
-  bytes += maxrecv * sizeof(double);
+  bigint bytes = memory->usage(buf_send,maxsend);
+  bytes += memory->usage(buf_recv,maxrecv);
   return bytes;
 }
diff --git a/src/irregular.h b/src/irregular.h
index f535e10527..ccd317f2e8 100644
--- a/src/irregular.h
+++ b/src/irregular.h
@@ -26,7 +26,7 @@ class Irregular : protected Pointers {
   int create_data(int, int *);
   void exchange_data(char *, int, char *);
   void destroy_data();
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int me,nprocs;
diff --git a/src/lammps.h b/src/lammps.h
index 862d587778..1c3f81600e 100644
--- a/src/lammps.h
+++ b/src/lammps.h
@@ -14,7 +14,6 @@
 #ifndef LMP_LAMMPS_H
 #define LMP_LAMMPS_H
 
-#include "mpi.h"
 #include "stdio.h"
 
 namespace LAMMPS_NS {
diff --git a/src/memory.h b/src/memory.h
index 3a2a90775c..bf8bd642b3 100644
--- a/src/memory.h
+++ b/src/memory.h
@@ -14,7 +14,6 @@
 #ifndef LMP_MEMORY_H
 #define LMP_MEMORY_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
@@ -68,8 +67,9 @@ class Memory : protected Pointers {
 
 
 /* ----------------------------------------------------------------------
-   NOTE: to avoid code bloat, only use these for int,double,float,char
-   otherwise, just use smalloc,srealloc,sfree
+   to avoid code bloat, only use these for int,double,float,char
+   not for int* or double** or arbitrary structs
+   in those cases, just use smalloc,srealloc,sfree directly
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
@@ -397,6 +397,44 @@ class Memory : protected Pointers {
       sfree_new(array[0]);
       sfree_new(array);
     }
+
+/* ----------------------------------------------------------------------
+   memory usage of arrays, including pointers
+------------------------------------------------------------------------- */
+
+  template <typename TYPE>
+    bigint usage(TYPE *array, int n)
+    {
+      bigint bytes = sizeof(TYPE) * n;
+      return bytes;
+    }
+
+  template <typename TYPE>
+    bigint usage(TYPE **array, int n1, int n2)
+    {
+      bigint bytes = sizeof(TYPE) * n1*n2;
+      bytes += sizeof(TYPE *) * n1;
+      return bytes;
+    }
+
+  template <typename TYPE>
+    bigint usage(TYPE ***array, int n1, int n2, int n3)
+    {
+      bigint bytes = sizeof(TYPE) * n1*n2*n3;
+      bytes += sizeof(TYPE *) * n1*n2;
+      bytes += sizeof(TYPE **) * n1;
+      return bytes;
+    }
+
+  template <typename TYPE>
+    bigint usage(TYPE ****array, int n1, int n2, int n3, int n4)
+    {
+      bigint bytes = sizeof(TYPE) * n1*n2*n3*n4;
+      bytes += sizeof(TYPE *) * n1*n2*n3;
+      bytes += sizeof(TYPE **) * n1*n2;
+      bytes += sizeof(TYPE ***) * n1;
+      return bytes;
+    }
 };
 
 }
diff --git a/src/min.h b/src/min.h
index de0d596c37..db9590b1b2 100644
--- a/src/min.h
+++ b/src/min.h
@@ -14,7 +14,6 @@
 #ifndef LMP_MIN_H
 #define LMP_MIN_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
@@ -37,7 +36,7 @@ class Min : protected Pointers {
   void run(int);
   void cleanup();
   int request(class Pair *, int, double);
-  double memory_usage() {return 0.0;}
+  virtual bigint memory_usage() {return 0;}
   void modify_params(int, char **);
   double fnorm_sqr();
   double fnorm_inf();
diff --git a/src/modify.cpp b/src/modify.cpp
index 99cb49cf17..d4e9cb3999 100644
--- a/src/modify.cpp
+++ b/src/modify.cpp
@@ -11,6 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "stdio.h"
 #include "string.h"
 #include "modify.h"
@@ -1102,10 +1103,12 @@ void Modify::list_init_compute()
    return # of bytes of allocated memory from all fixes
 ------------------------------------------------------------------------- */
 
-double Modify::memory_usage()
+bigint Modify::memory_usage()
 {
-  double bytes = 0.0;
-  for (int i = 0; i < nfix; i++) bytes += fix[i]->memory_usage();
-  for (int i = 0; i < ncompute; i++) bytes += compute[i]->memory_usage();
+  bigint bytes = 0;
+  for (int i = 0; i < nfix; i++) 
+    bytes += static_cast<bigint> (fix[i]->memory_usage());
+  for (int i = 0; i < ncompute; i++) 
+    bytes += static_cast<bigint> (compute[i]->memory_usage());
   return bytes;
 }
diff --git a/src/modify.h b/src/modify.h
index 56d94d63b9..01a32431ce 100644
--- a/src/modify.h
+++ b/src/modify.h
@@ -14,7 +14,6 @@
 #ifndef LMP_MODIFY_H
 #define LMP_MODIFY_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "pointers.h"
 
@@ -96,7 +95,7 @@ class Modify : protected Pointers {
   int read_restart(FILE *);
   void restart_deallocate();
 
-  double memory_usage();
+  bigint memory_usage();
 
  private:
 
diff --git a/src/neigh_list.cpp b/src/neigh_list.cpp
index c5bd04b3f7..6eda7d474e 100644
--- a/src/neigh_list.cpp
+++ b/src/neigh_list.cpp
@@ -11,6 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "neigh_list.h"
 #include "atom.h"
 #include "comm.h"
@@ -136,7 +137,7 @@ void NeighList::stencil_allocate(int smax, int style)
     if (smax > maxstencil) {
       maxstencil = smax;
       memory->destroy(stencil);
-      memory->create(stencil,smax,"neighlist:stencil");
+      memory->create(stencil,maxstencil,"neighlist:stencil");
     }
 
   } else {
@@ -156,8 +157,10 @@ void NeighList::stencil_allocate(int smax, int style)
       for (i = 1; i <= n; i++) {
 	memory->destroy(stencil_multi[i]);
 	memory->destroy(distsq_multi[i]);
-	memory->create(stencil_multi[i],smax,"neighlist:stencil_multi");
-	memory->create(distsq_multi[i],smax,"neighlist:distsq_multi");
+	memory->create(stencil_multi[i],maxstencil_multi,
+		       "neighlist:stencil_multi");
+	memory->create(distsq_multi[i],maxstencil_multi,
+		       "neighlist:distsq_multi");
       }
     }
   }
@@ -247,22 +250,23 @@ void NeighList::print_attributes()
    if stencilflag = 0, maxstencil * maxstencil_multi will also be 0
 ------------------------------------------------------------------------- */
 
-double NeighList::memory_usage()
+bigint NeighList::memory_usage()
 {
-  double bytes = 0.0;
-  bytes += 2 * maxlocal * sizeof(int);
+  bigint bytes = 0;
+  bytes += memory->usage(ilist,maxlocal);
+  bytes += memory->usage(numneigh,maxlocal);
   bytes += maxlocal * sizeof(int *);
-  bytes += maxpage*pgsize * sizeof(int);
+  bytes += memory->usage(pages,maxpage,pgsize);
 
   if (dnum) {
     bytes += maxlocal * sizeof(double *);
-    bytes += dnum * maxpage*pgsize * sizeof(double);
+    bytes += memory->usage(dpages,maxpage,dnum*pgsize);
   }
 
-  if (maxstencil) bytes += maxstencil * sizeof(int);
+  if (maxstencil) bytes += memory->usage(stencil,maxstencil);
   if (maxstencil_multi) {
-    bytes += atom->ntypes * maxstencil_multi * sizeof(int);
-    bytes += atom->ntypes * maxstencil_multi * sizeof(double);
+    bytes += memory->usage(stencil_multi,atom->ntypes,maxstencil_multi);
+    bytes += memory->usage(distsq_multi,atom->ntypes,maxstencil_multi);
   }
 
   return bytes;
diff --git a/src/neigh_list.h b/src/neigh_list.h
index 67ef125dc7..4f14f9c020 100644
--- a/src/neigh_list.h
+++ b/src/neigh_list.h
@@ -77,7 +77,7 @@ class NeighList : protected Pointers {
   int **add_pages();                    // add pages to neigh list
   void copy_skip_info(int *, int **);   // copy skip info from a neigh request
   void print_attributes();              // debug routine
-  double memory_usage();
+  bigint memory_usage();
 
  private:
   int maxlocal;                    // size of allocated atom arrays
diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index 76ec425b72..cf5dad179c 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -1645,22 +1645,22 @@ int Neighbor::exclusion(int i, int j, int itype, int jtype,
    return # of bytes of allocated memory
 ------------------------------------------------------------------------- */
 
-double Neighbor::memory_usage()
+bigint Neighbor::memory_usage()
 {
-  double bytes = 0.0;
-  bytes += maxhold*3 * sizeof(double);
+  bigint bytes = 0;
+  bytes += memory->usage(xhold,maxhold,3);
 
   if (style != NSQ) {
-    bytes += maxbin * sizeof(int);
-    bytes += maxhead * sizeof(int);
+    bytes += memory->usage(bins,maxbin);
+    bytes += memory->usage(binhead,maxhead);
   }
 
   for (int i = 0; i < nlist; i++) bytes += lists[i]->memory_usage();
 
-  bytes += maxbond*3 * sizeof(int);
-  bytes += maxangle*4 * sizeof(int);
-  bytes += maxdihedral*5 * sizeof(int);
-  bytes += maximproper*5 * sizeof(int);
+  bytes += memory->usage(bondlist,maxbond,3);
+  bytes += memory->usage(anglelist,maxangle,4);
+  bytes += memory->usage(dihedrallist,maxdihedral,5);
+  bytes += memory->usage(improperlist,maximproper,5);
 
   return bytes;
 }
diff --git a/src/neighbor.h b/src/neighbor.h
index 2e45476f92..71995d30a2 100644
--- a/src/neighbor.h
+++ b/src/neighbor.h
@@ -71,7 +71,7 @@ class Neighbor : protected Pointers {
   void build_one(int);         // create a single neighbor list
   void set(int, char **);      // set neighbor style and skin distance
   void modify_params(int, char**);  // modify parameters that control builds
-  double memory_usage();
+  bigint memory_usage();
   
  private:
   int me,nprocs;
diff --git a/src/output.cpp b/src/output.cpp
index 97de70438a..0d5a280ac3 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -517,19 +517,19 @@ void Output::create_restart(int narg, char **arg)
 
 /* ----------------------------------------------------------------------
    sum and print memory usage
-   is only memory on proc 0, not averaged across procs
+   result is only memory on proc 0, not averaged across procs
 ------------------------------------------------------------------------- */
 
 void Output::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
   bytes += atom->memory_usage();
   bytes += neighbor->memory_usage();
   bytes += comm->memory_usage();
   bytes += update->memory_usage();
   bytes += force->memory_usage();
   bytes += modify->memory_usage();
-  for (int i = 0; i < ndump; i++) bytes += dump[i]->memory_usage();
+  for (int i = 0; i < ndump; i++) dump[i]->memory_usage();
 
   double mbytes = bytes/1024.0/1024.0;
 
diff --git a/src/output.h b/src/output.h
index d8ce61e529..735cd28f30 100644
--- a/src/output.h
+++ b/src/output.h
@@ -14,7 +14,6 @@
 #ifndef LMP_OUTPUT_H
 #define LMP_OUTPUT_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
diff --git a/src/pointers.h b/src/pointers.h
index 1824a3f0b9..59afc88139 100644
--- a/src/pointers.h
+++ b/src/pointers.h
@@ -21,6 +21,7 @@
 #ifndef LMP_POINTERS_H
 #define LMP_POINTERS_H
 
+#include "lmptype.h"
 #include "mpi.h"
 #include "lammps.h"
 
diff --git a/src/read_restart.h b/src/read_restart.h
index 16d2e675d5..162fb085fe 100644
--- a/src/read_restart.h
+++ b/src/read_restart.h
@@ -20,7 +20,6 @@ CommandStyle(read_restart,ReadRestart)
 #ifndef LMP_READ_RESTART_H
 #define LMP_READ_RESTART_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "pointers.h"
 
diff --git a/src/region.h b/src/region.h
index e32d7ff1c7..c0b55daa1c 100644
--- a/src/region.h
+++ b/src/region.h
@@ -14,7 +14,6 @@
 #ifndef LMP_REGION_H
 #define LMP_REGION_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
diff --git a/src/respa.cpp b/src/respa.cpp
index cb3425b135..806c7bea44 100644
--- a/src/respa.cpp
+++ b/src/respa.cpp
@@ -35,8 +35,8 @@
 #include "modify.h"
 #include "compute.h"
 #include "fix_respa.h"
-#include "memory.h"
 #include "timer.h"
+#include "memory.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/thermo.h b/src/thermo.h
index 0d000b0e12..9b9133c6a6 100644
--- a/src/thermo.h
+++ b/src/thermo.h
@@ -14,7 +14,6 @@
 #ifndef LMP_THERMO_H
 #define LMP_THERMO_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
diff --git a/src/universe.h b/src/universe.h
index ab508af37c..e90984f511 100644
--- a/src/universe.h
+++ b/src/universe.h
@@ -14,7 +14,6 @@
 #ifndef LMP_UNIVERSE_H
 #define LMP_UNIVERSE_H
 
-#include "mpi.h"
 #include "stdio.h"
 #include "pointers.h"
 
diff --git a/src/update.cpp b/src/update.cpp
index 9a2214474c..c6b135eec6 100644
--- a/src/update.cpp
+++ b/src/update.cpp
@@ -11,6 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "string.h"
 #include "stdlib.h"
 #include "update.h"
@@ -287,9 +288,9 @@ void Update::reset_timestep(int narg, char **arg)
    memory usage of update and integrate/minimize
 ------------------------------------------------------------------------- */
 
-double Update::memory_usage()
+bigint Update::memory_usage()
 {
-  double bytes = 0.0;
+  bigint bytes = 0;
   if (whichflag == 1) bytes += integrate->memory_usage();
   else if (whichflag == 2) bytes += minimize->memory_usage();
   return bytes;
diff --git a/src/update.h b/src/update.h
index b713c4c113..bde3512457 100644
--- a/src/update.h
+++ b/src/update.h
@@ -14,7 +14,6 @@
 #ifndef LMP_UPDATE_H
 #define LMP_UPDATE_H
 
-#include "lmptype.h"
 #include "pointers.h"
 
 namespace LAMMPS_NS {
@@ -52,7 +51,7 @@ class Update : protected Pointers {
   void create_integrate(int, char **);
   void create_minimize(int, char **);
   void reset_timestep(int, char **);
-  double memory_usage();
+  bigint memory_usage();
 };
 
 }
diff --git a/src/write_restart.h b/src/write_restart.h
index 8a849e8256..33bb164bfb 100644
--- a/src/write_restart.h
+++ b/src/write_restart.h
@@ -20,7 +20,6 @@ CommandStyle(write_restart,WriteRestart)
 #ifndef LMP_WRITE_RESTART_H
 #define LMP_WRITE_RESTART_H
 
-#include "lmptype.h"
 #include "stdio.h"
 #include "pointers.h"