1 |
|
#ifdef IS_MPI |
2 |
|
#include <iostream> |
3 |
< |
#include <cstdlib> |
4 |
< |
#include <cstring> |
5 |
< |
#include <cmath> |
3 |
> |
#include <stdlib.h> |
4 |
> |
#include <string.h> |
5 |
> |
#include <math.h> |
6 |
|
#include <mpi.h> |
7 |
|
|
8 |
|
#include "mpiSimulation.hpp" |
9 |
|
#include "simError.h" |
10 |
|
#include "fortranWrappers.hpp" |
11 |
|
#include "randomSPRNG.hpp" |
12 |
– |
|
13 |
– |
#define BASE_SEED 123456789 |
12 |
|
|
13 |
|
mpiSimulation* mpiSim; |
14 |
|
|
57 |
|
int old_atoms, add_atoms, new_atoms; |
58 |
|
|
59 |
|
int nTarget; |
60 |
< |
int molIndex, atomIndex, compIndex, compStart; |
60 |
> |
int molIndex, atomIndex; |
61 |
|
int done; |
64 |
– |
int nLocal, molLocal; |
62 |
|
int i, j, loops, which_proc, nmol_local, natoms_local; |
63 |
|
int nmol_global, natoms_global; |
64 |
< |
int local_index, index; |
68 |
< |
int smallDiff, bigDiff; |
64 |
> |
int local_index; |
65 |
|
int baseSeed = entryPlug->getSeed(); |
66 |
|
|
71 |
– |
int testSum; |
72 |
– |
|
67 |
|
nComponents = entryPlug->nComponents; |
68 |
|
compStamps = entryPlug->compStamps; |
69 |
|
componentsNmol = entryPlug->componentsNmol; |