Commit 8d5905c4 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5469 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 3c17a270

src/STUBS/mpi.cpp

+22 −0
Original line number Diff line number Diff line
@@ -16,6 +16,7 @@ 
#include "stdlib.h"

#include "string.h"

#include "stdio.h"

#include "stdint.h"

#include <sys/time.h>

#include "mpi.h"
@@ -90,6 +91,19 @@ double MPI_Wtime() 


/* ---------------------------------------------------------------------- */



int MPI_Type_size(MPI_Datatype datatype, int *size)

{

  if (datatype == MPI_INT) *size = sizeof(int);

  else if (datatype == MPI_FLOAT) *size = sizeof(float);

  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_DOUBLE_INT) *size = sizeof(double_int);

}



/* ---------------------------------------------------------------------- */



int MPI_Send(void *buf, int count, MPI_Datatype datatype,

             int dest, int tag, MPI_Comm comm)

{
@@ -247,6 +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_DOUBLE_INT) n = count*sizeof(double_int);



  memcpy(recvbuf,sendbuf,n);
@@ -267,6 +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_DOUBLE_INT) n = count*sizeof(double_int);



  memcpy(recvbuf,sendbuf,n);
@@ -285,6 +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_DOUBLE_INT) n = count*sizeof(double_int);



  memcpy(recvbuf,sendbuf,n);
@@ -305,6 +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_DOUBLE_INT) n = sendcount*sizeof(double_int);



  memcpy(recvbuf,sendbuf,n);
@@ -325,6 +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_DOUBLE_INT) n = sendcount*sizeof(double_int);



  memcpy(recvbuf,sendbuf,n);
@@ -344,6 +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_DOUBLE_INT) n = *recvcounts*sizeof(double_int);



  memcpy(recvbuf,sendbuf,n);
@@ -364,6 +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_DOUBLE_INT) n = sendcount*sizeof(double_int);



  memcpy(recvbuf,sendbuf,n);
@@ -384,6 +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_DOUBLE_INT) n = sendcount*sizeof(double_int);



  memcpy(recvbuf,sendbuf,n);

src/STUBS/mpi.h

+4 −1
Original line number Diff line number Diff line
@@ -25,7 +25,8 @@ 
#define MPI_DOUBLE 3

#define MPI_CHAR 4

#define MPI_BYTE 5

#define MPI_DOUBLE_INT 6

#define MPI_UNSIGNED_LONG 6

#define MPI_DOUBLE_INT 7



#define MPI_SUM 1

#define MPI_MAX 2
@@ -57,6 +58,8 @@ int MPI_Abort(MPI_Comm comm, int errorcode); 
int MPI_Finalize();

double MPI_Wtime();



int MPI_Type_size(int, int *);



int MPI_Send(void *buf, int count, MPI_Datatype datatype,

             int dest, int tag, MPI_Comm comm);

int MPI_Rsend(void *buf, int count, MPI_Datatype datatype,

src/min.cpp

+2 −2
Original line number Diff line number Diff line
@@ -199,10 +199,10 @@ void Min::setup() 
  // ndoftotal = total dof for entire minimization problem

  // dof for atoms, extra per-atom, extra global



  double ndofme = 3.0*atom->nlocal;

  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_DOUBLE,MPI_SUM,world);

  MPI_Allreduce(&ndofme,&ndoftotal,1,MPI_UNSIGNED_LONG,MPI_SUM,world);

  ndoftotal += nextra_global;



  // setup domain, communication and neighboring

src/min.h

+2 −1
Original line number Diff line number Diff line
@@ -15,6 +15,7 @@ 
#define LMP_MIN_H



#include "pointers.h"

#include "lmptype.h"



namespace LAMMPS_NS {
@@ -70,7 +71,7 @@ class Min : protected Pointers { 
  class Compute *pe_compute;        // compute for potential energy

  double ecurrent;                  // current potential energy



  double ndoftotal;           // total dof for entire problem

  bigint ndoftotal;           // total dof for entire problem



  int nvec;                   // local atomic dof = length of xvec

  double *xvec;               // variables for atomic dof, as 1d vector

src/replicate.cpp

+0 −1
Original line number Diff line number Diff line
@@ -13,7 +13,6 @@ 


#include "stdlib.h"

#include "string.h"

#include "stdint.h"

#include "replicate.h"

#include "lmptype.h"

#include "atom.h"

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