From 7cd0d58e85616e9bfb4d0db6d644dc15d174fe9e Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Tue, 29 Jul 2014 15:29:09 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12221
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/STUBS/mpi.c | 79 ++++++++++++++++++++++++++++++++++++++++++++++++-
 src/STUBS/mpi.h | 10 +++++++
 src/rcb.cpp     |  4 +--
 3 files changed, 90 insertions(+), 3 deletions(-)

diff --git a/src/STUBS/mpi.c b/src/STUBS/mpi.c
index 5f865c4031..891fd80ce7 100644
--- a/src/STUBS/mpi.c
+++ b/src/STUBS/mpi.c
@@ -20,7 +20,7 @@
 #include <sys/time.h>
 #include "mpi.h"
 
-/* lo-level data structure */
+/* data structure for double/int */
 
 struct _mpi_double_int {
   double value;
@@ -28,6 +28,15 @@ struct _mpi_double_int {
 };
 typedef struct _mpi_double_int double_int;
 
+/* extra MPI_Datatypes registered by MPI_Type_contiguous */
+
+#define MAXEXTRA_DATATYPE 16
+
+int nextra_datatype;
+MPI_Datatype *ptr_datatype[MAXEXTRA_DATATYPE];
+int index_datatype[MAXEXTRA_DATATYPE];
+int size_datatype[MAXEXTRA_DATATYPE];
+
 /* ---------------------------------------------------------------------- */
 /* MPI Functions */
 /* ---------------------------------------------------------------------- */
@@ -101,6 +110,8 @@ double MPI_Wtime()
 
 /* ---------------------------------------------------------------------- */
 
+/* include sizes of user defined datatypes, stored in extra lists */
+
 static int stubtypesize(MPI_Datatype datatype)
 {
   if (datatype == MPI_INT)             return sizeof(int);
@@ -111,6 +122,12 @@ static int stubtypesize(MPI_Datatype datatype)
   else if (datatype == MPI_LONG)       return sizeof(long);
   else if (datatype == MPI_LONG_LONG)  return sizeof(uint64_t);
   else if (datatype == MPI_DOUBLE_INT) return sizeof(double_int);
+  else {
+    int i;
+    for (i = 0; i < nextra_datatype; i++)
+      if (datatype == index_datatype[i]) return size_datatype[i];
+  }
+  return 0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -305,6 +322,66 @@ int MPI_Cart_rank(MPI_Comm comm, int *coords, int *rank)
 
 /* ---------------------------------------------------------------------- */
 
+/* store size of user datatype in extra lists */
+
+int MPI_Type_contiguous(int count, MPI_Datatype oldtype, 
+                        MPI_Datatype *newtype)
+{
+  if (nextra_datatype = MAXEXTRA_DATATYPE) return -1;
+  ptr_datatype[nextra_datatype] = newtype;
+  index_datatype[nextra_datatype] = -(nextra_datatype + 1);
+  size_datatype[nextra_datatype] = count * stubtypesize(oldtype);
+  nextra_datatype++;
+  return 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+/* set value of user datatype to internal negative index, 
+   based on match of ptr */
+
+int MPI_Type_commit(MPI_Datatype *datatype)
+{
+  int i;
+  for (i = 0; i < nextra_datatype; i++)
+    if (datatype == ptr_datatype[i]) *datatype = index_datatype[i];
+  return 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+/* remove user datatype from extra lists */
+
+int MPI_Type_free(MPI_Datatype *datatype)
+{
+  int i;
+  for (i = 0; i < nextra_datatype; i++)
+    if (datatype == ptr_datatype[i]) {
+      ptr_datatype[i] = ptr_datatype[nextra_datatype-1];
+      index_datatype[i] = index_datatype[nextra_datatype-1];
+      size_datatype[i] = size_datatype[nextra_datatype-1];
+      nextra_datatype--;
+      break;
+    }
+  return 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int MPI_Op_create(MPI_User_function *function, int commute, MPI_Op *op)
+{
+  return 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int MPI_Op_free(MPI_Op *op)
+{
+  return 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
 int MPI_Barrier(MPI_Comm comm) {return 0;}
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/STUBS/mpi.h b/src/STUBS/mpi.h
index bbd1186ea8..86bd6db341 100644
--- a/src/STUBS/mpi.h
+++ b/src/STUBS/mpi.h
@@ -64,6 +64,9 @@ extern "C" {
 
 #define MPI_MAX_PROCESSOR_NAME 128
 
+typedef void MPI_User_function(void *invec, void *inoutvec, 
+                               int *len, MPI_Datatype *datatype);
+
 /* MPI data structs */
 
 struct _MPI_Status {
@@ -122,6 +125,13 @@ int MPI_Cart_shift(MPI_Comm comm, int direction, int displ,
                    int *source, int *dest);
 int MPI_Cart_rank(MPI_Comm comm, int *coords, int *rank);
 
+int MPI_Type_contiguous(int count, MPI_Datatype oldtype, 
+                        MPI_Datatype *newtype);
+int MPI_Type_commit(MPI_Datatype *datatype);
+int MPI_Type_free(MPI_Datatype *datatype);
+
+int MPI_Op_create(MPI_User_function *function, int commute, MPI_Op *op);
+int MPI_Op_free(MPI_Op *op);
 
 int MPI_Barrier(MPI_Comm comm);
 int MPI_Bcast(void *buf, int count, MPI_Datatype datatype,
diff --git a/src/rcb.cpp b/src/rcb.cpp
index cf4e12d213..de3f9f3ba6 100644
--- a/src/rcb.cpp
+++ b/src/rcb.cpp
@@ -101,8 +101,8 @@ RCB::~RCB()
      sets noriginal,nfinal,nkeep,recvproc,recvindex,lo,hi
    all proc particles will be inside or on surface of 3-d box
      defined by final lo/hi
-   // NOTE: worry about re-use of data structs for fix balance
-   // NOTE: should I get rid of wt all together, will it be used?
+   // NOTE: worry about re-use of data structs for fix balance?
+   // NOTE: could get rid of wt all together, will it be used?
 ------------------------------------------------------------------------- */
 
 void RCB::compute(int dimension, int n, double **x, double *wt,