diff -Naur lammps-8Apr08/doc/compute_centro_atom.html lammps-9Apr08/doc/compute_centro_atom.html
--- lammps-8Apr08/doc/compute_centro_atom.html	2008-01-03 17:56:10.000000000 -0700
+++ lammps-9Apr08/doc/compute_centro_atom.html	2008-04-07 09:58:34.000000000 -0600
@@ -39,10 +39,10 @@
 </P>
 <CENTER><IMG SRC = "Eqs/centro_symmetry.jpg">
 </CENTER>
-<P>where the 12 nearest neighbors are found and Ri and Ri+6 are the
-vectors from the central atom to the opposite pair of nearest
-neighbors.  Atoms not in the group are included in the 12 neighbors
-used in this calculation.
+<P>where the 12 nearest neighbors are found (for fcc lattices) and Ri and
+Ri+6 are the vectors from the central atom to the opposite pair of
+nearest neighbors.  Atoms not in the group are included in the 12
+neighbors used in this calculation.
 </P>
 <P>The neighbor list needed to compute this quantity is constructed each
 time the calculation is performed (i.e. each time a snapshot of atoms
diff -Naur lammps-8Apr08/doc/compute_centro_atom.txt lammps-9Apr08/doc/compute_centro_atom.txt
--- lammps-8Apr08/doc/compute_centro_atom.txt	2008-01-03 17:56:10.000000000 -0700
+++ lammps-9Apr08/doc/compute_centro_atom.txt	2008-04-07 09:58:34.000000000 -0600
@@ -36,10 +36,10 @@
 
 :c,image(Eqs/centro_symmetry.jpg)
 
-where the 12 nearest neighbors are found and Ri and Ri+6 are the
-vectors from the central atom to the opposite pair of nearest
-neighbors.  Atoms not in the group are included in the 12 neighbors
-used in this calculation.
+where the 12 nearest neighbors are found (for fcc lattices) and Ri and
+Ri+6 are the vectors from the central atom to the opposite pair of
+nearest neighbors.  Atoms not in the group are included in the 12
+neighbors used in this calculation.
 
 The neighbor list needed to compute this quantity is constructed each
 time the calculation is performed (i.e. each time a snapshot of atoms
diff -Naur lammps-8Apr08/doc/compute_temp_asphere.html lammps-9Apr08/doc/compute_temp_asphere.html
--- lammps-8Apr08/doc/compute_temp_asphere.html	2008-03-20 18:45:02.000000000 -0600
+++ lammps-9Apr08/doc/compute_temp_asphere.html	2008-04-07 09:58:34.000000000 -0600
@@ -85,6 +85,10 @@
 be altered using the <I>extra</I> option of the
 <A HREF = "compute_modify.html">compute_modify</A> command.
 </P>
+<P>See <A HREF = "Section_howto.html#4_16">this howto section</A> of the manual for a
+discussion of different ways to compute temperature and perform
+thermostatting.
+</P>
 <P><B>Output info:</B>
 </P>
 <P>The scalar value calculated by this compute is "intensive", meaning it
diff -Naur lammps-8Apr08/doc/compute_temp_asphere.txt lammps-9Apr08/doc/compute_temp_asphere.txt
--- lammps-8Apr08/doc/compute_temp_asphere.txt	2008-03-20 18:45:02.000000000 -0600
+++ lammps-9Apr08/doc/compute_temp_asphere.txt	2008-04-07 09:58:34.000000000 -0600
@@ -82,6 +82,10 @@
 be altered using the {extra} option of the
 "compute_modify"_compute_modify.html command.
 
+See "this howto section"_Section_howto.html#4_16 of the manual for a
+discussion of different ways to compute temperature and perform
+thermostatting.
+
 [Output info:]
 
 The scalar value calculated by this compute is "intensive", meaning it
diff -Naur lammps-8Apr08/src/MOLECULE/dump_bond.cpp lammps-9Apr08/src/MOLECULE/dump_bond.cpp
--- lammps-8Apr08/src/MOLECULE/dump_bond.cpp	2007-10-03 10:16:14.000000000 -0600
+++ lammps-9Apr08/src/MOLECULE/dump_bond.cpp	2008-04-08 07:58:15.000000000 -0600
@@ -59,11 +59,13 @@
 
 void DumpBond::write_header(int ndump)
 {
-  fprintf(fp,"ITEM: TIMESTEP\n");
-  fprintf(fp,"%d\n",update->ntimestep);
-  fprintf(fp,"ITEM: NUMBER OF BONDS\n");
-  fprintf(fp,"%d\n",ndump);
-  fprintf(fp,"ITEM: BONDS\n");
+  if (me == 0) {
+    fprintf(fp,"ITEM: TIMESTEP\n");
+    fprintf(fp,"%d\n",update->ntimestep);
+    fprintf(fp,"ITEM: NUMBER OF BONDS\n");
+    fprintf(fp,"%d\n",ndump);
+    fprintf(fp,"ITEM: BONDS\n");
+  }
 }
 
 /* ---------------------------------------------------------------------- */
diff -Naur lammps-8Apr08/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp lammps-9Apr08/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
--- lammps-8Apr08/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp	2008-01-02 12:24:46.000000000 -0700
+++ lammps-9Apr08/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp	2008-04-07 14:21:05.000000000 -0600
@@ -441,7 +441,8 @@
 				      double factor_coul, double factor_lj,
 				      double &fforce)
 {
-  double r2inv,r6inv,switch1,switch2,forcecoul,forcelj,phicoul,philj;
+  double r2inv,r6inv,forcecoul,forcelj,phicoul,philj;
+  double switch1,switch2;
 
   r2inv = 1.0/rsq;
   if (rsq < cut_coulsq) {
@@ -454,6 +455,7 @@
       forcecoul *= switch1 + switch2;
     }
   } else forcecoul = 0.0;
+
   if (rsq < cut_ljsq) {
     r6inv = r2inv*r2inv*r2inv;
     forcelj = r6inv * (lj1[itype][jtype]*r6inv - lj2[itype][jtype]);
@@ -466,6 +468,7 @@
       forcelj = forcelj*switch1 + philj*switch2;
     }
   } else forcelj = 0.0;
+
   fforce = (factor_coul*forcecoul + factor_lj*forcelj) * r2inv;
 
   double eng = 0.0;
diff -Naur lammps-8Apr08/src/XTC/dump_xtc.cpp lammps-9Apr08/src/XTC/dump_xtc.cpp
--- lammps-8Apr08/src/XTC/dump_xtc.cpp	2008-02-08 13:06:26.000000000 -0700
+++ lammps-9Apr08/src/XTC/dump_xtc.cpp	2008-04-08 07:58:15.000000000 -0600
@@ -151,7 +151,7 @@
 
 void DumpXTC::write_header(int n)
 {
-  // realloc coords if necessary
+  // all procs realloc types & coords if necessary
 
   if (n != natoms) {
     memory->sfree(coords);
@@ -161,6 +161,10 @@
     coords = (float *) memory->smalloc(3*natoms*sizeof(float),"dump:coords");
   }
 
+  // only proc 0 writes header
+
+  if (me != 0) return;
+
   int tmp = XTC_MAGIC;
   xdr_int(&xd,&tmp);
   xdr_int(&xd,&n);
diff -Naur lammps-8Apr08/src/atom.cpp lammps-9Apr08/src/atom.cpp
--- lammps-8Apr08/src/atom.cpp	2008-03-17 17:37:19.000000000 -0600
+++ lammps-9Apr08/src/atom.cpp	2008-04-08 07:58:15.000000000 -0600
@@ -602,7 +602,7 @@
 
 /* ----------------------------------------------------------------------
    check if atom tags are consecutive from 1 to Natoms
-   return 0 if any tag <= 0 or maxtag > Natoms
+   return 0 if any tag <= 0 or maxtag != Natoms
    return 1 if OK (doesn't actually check if all tag values are used)
 ------------------------------------------------------------------------- */
 
@@ -620,7 +620,7 @@
   }
   MPI_Allreduce(check,check_all,2,MPI_INT,MPI_MAX,world);
 
-  if (check_all[0] || check_all[1] > natoms) return 0;
+  if (check_all[0] || check_all[1] != static_cast<int> (natoms)) return 0;
   return 1;
 }
 
diff -Naur lammps-8Apr08/src/dump.cpp lammps-9Apr08/src/dump.cpp
--- lammps-8Apr08/src/dump.cpp	2008-01-17 16:46:47.000000000 -0700
+++ lammps-9Apr08/src/dump.cpp	2008-04-08 07:58:15.000000000 -0600
@@ -153,7 +153,7 @@
   // write timestep header
 
   if (multiproc) write_header(nme);
-  else if (me == 0) write_header(ntotal);
+  else write_header(ntotal);
 
   // grow communication buffer if necessary
 
diff -Naur lammps-8Apr08/src/dump_atom.cpp lammps-9Apr08/src/dump_atom.cpp
--- lammps-8Apr08/src/dump_atom.cpp	2007-10-03 10:22:30.000000000 -0600
+++ lammps-9Apr08/src/dump_atom.cpp	2008-04-08 07:58:15.000000000 -0600
@@ -110,7 +110,7 @@
 
 void DumpAtom::write_header(int ndump)
 {
-  (this->*header_choice)(ndump);
+  if (me == 0) (this->*header_choice)(ndump);
 }
 
 /* ---------------------------------------------------------------------- */
diff -Naur lammps-8Apr08/src/dump_custom.cpp lammps-9Apr08/src/dump_custom.cpp
--- lammps-8Apr08/src/dump_custom.cpp	2008-01-02 12:24:46.000000000 -0700
+++ lammps-9Apr08/src/dump_custom.cpp	2008-04-08 07:58:15.000000000 -0600
@@ -206,7 +206,7 @@
 
 void DumpCustom::write_header(int ndump)
 {
-  (this->*header_choice)(ndump);
+  if (me == 0) (this->*header_choice)(ndump);
 }
 
 /* ---------------------------------------------------------------------- */
diff -Naur lammps-8Apr08/src/dump_dcd.cpp lammps-9Apr08/src/dump_dcd.cpp
--- lammps-8Apr08/src/dump_dcd.cpp	2008-01-17 13:22:20.000000000 -0700
+++ lammps-9Apr08/src/dump_dcd.cpp	2008-04-08 07:58:15.000000000 -0600
@@ -179,11 +179,13 @@
     dim[4] = (h[0]*h[5]) / alen/blen;
   }
   
-  uint32_t out_integer = 48;
-  fwrite_int32(fp,out_integer);
-  fwrite(dim,out_integer,1,fp); 
-  fwrite_int32(fp,out_integer);
-  if (flush_flag) fflush(fp);
+  if (me == 0) {
+    uint32_t out_integer = 48;
+    fwrite_int32(fp,out_integer);
+    fwrite(dim,out_integer,1,fp); 
+    fwrite_int32(fp,out_integer);
+    if (flush_flag) fflush(fp);
+  }
 }
 
 /* ---------------------------------------------------------------------- */
diff -Naur lammps-8Apr08/src/dump_xyz.cpp lammps-9Apr08/src/dump_xyz.cpp
--- lammps-8Apr08/src/dump_xyz.cpp	2007-10-04 11:57:04.000000000 -0600
+++ lammps-9Apr08/src/dump_xyz.cpp	2008-04-08 07:58:15.000000000 -0600
@@ -94,7 +94,7 @@
 
 void DumpXYZ::write_header(int n)
 {
-  // realloc types & coords if necessary
+  // all procs realloc types & coords if necessary
 
   if (igroup == 0 && n != natoms) {
     memory->sfree(types);
@@ -106,8 +106,12 @@
     coords = (float *) memory->smalloc(3*natoms*sizeof(float),"dump:coords");
   }
 
-  fprintf(fp,"%d\n",n);
-  fprintf(fp,"Atoms\n");
+  // only proc 0 writes header
+
+  if (me == 0) {
+    fprintf(fp,"%d\n",n);
+    fprintf(fp,"Atoms\n");
+  }
 }
 
 /* ---------------------------------------------------------------------- */
diff -Naur lammps-8Apr08/src/pair_lj_smooth.cpp lammps-9Apr08/src/pair_lj_smooth.cpp
--- lammps-8Apr08/src/pair_lj_smooth.cpp	2008-01-02 12:24:46.000000000 -0700
+++ lammps-9Apr08/src/pair_lj_smooth.cpp	2008-04-07 14:21:05.000000000 -0600
@@ -67,8 +67,8 @@
 {
   int i,j,ii,jj,inum,jnum,itype,jtype;
   double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
-  double rsq,r2inv,r6inv,r,forcelj,factor_lj;
-  double t,tsq,fskin;
+  double rsq,r2inv,r6inv,forcelj,factor_lj;
+  double r,t,tsq,fskin;
   int *ilist,*jlist,*numneigh,**firstneigh;
   
   evdwl = 0.0;
@@ -203,7 +203,8 @@
   cut_inner_global = atof(arg[0]);
   cut_global = atof(arg[1]);
 
-  if (cut_inner_global <= 0.0) error->all("Illegal pair_style command");
+  if (cut_inner_global <= 0.0 || cut_inner_global > cut_global)
+    error->all("Illegal pair_style command");
 
   // reset cutoffs that have been explicitly set
 
@@ -242,7 +243,8 @@
     cut_one = atof(arg[5]);
   }
 
-  if (cut_inner_one <= 0.0) error->all("Incorrect args for pair coefficients");
+  if (cut_inner_one <= 0.0 || cut_inner_one > cut_one)
+    error->all("Incorrect args for pair coefficients");
 
   int count = 0;
   for (int i = ilo; i <= ihi; i++) {