| 9 |
|
typedef struct{ |
| 10 |
|
int nMolGlobal; |
| 11 |
|
int nAtomsGlobal; |
| 12 |
+ |
int nGroupsGlobal; |
| 13 |
|
int nBondsGlobal; |
| 14 |
|
int nBendsGlobal; |
| 15 |
|
int nTorsionsGlobal; |
| 16 |
|
int nSRIGlobal; |
| 17 |
< |
int myNMol; |
| 18 |
< |
int myNlocal; |
| 19 |
< |
int myNgroup; |
| 17 |
> |
int nMolLocal; |
| 18 |
> |
int nAtomsLocal; |
| 19 |
> |
int nGroupsLocal; |
| 20 |
|
int myNode; |
| 21 |
< |
int numberProcessors; |
| 21 |
> |
int nProcessors; |
| 22 |
|
int rowComm; |
| 23 |
|
int columnComm; |
| 24 |
< |
int numberRows; |
| 25 |
< |
int numberColumns; |
| 26 |
< |
int nComponentsRow; |
| 27 |
< |
int nComponentsColumn; |
| 28 |
< |
int nGroupRow; |
| 29 |
< |
int nGroupColumn; |
| 24 |
> |
int nRows; |
| 25 |
> |
int nColumns; |
| 26 |
> |
int nAtomsInRow; |
| 27 |
> |
int nAtomsInColumn; |
| 28 |
> |
int nGroupsInRow; |
| 29 |
> |
int nGroupsInColumn; |
| 30 |
|
int rowIndex; |
| 31 |
|
int columnIndex; |
| 32 |
|
} mpiSimData; |
| 41 |
|
sequence |
| 42 |
|
integer :: nMolGlobal = 0 |
| 43 |
|
integer :: nAtomsGlobal = 0 |
| 44 |
+ |
integer :: nGroupsGlobal = 0 |
| 45 |
|
integer :: nBondsGlobal = 0 |
| 46 |
|
integer :: nBendsGlobal = 0 |
| 47 |
|
integer :: nTorsionsGlobal = 0 |
| 48 |
|
integer :: nSRIGlobal = 0 |
| 49 |
< |
integer :: myNMol = 0 |
| 50 |
< |
integer :: myNlocal = 0 |
| 51 |
< |
integer :: myNgroup = 0 |
| 49 |
> |
integer :: nMolLocal = 0 |
| 50 |
> |
integer :: nAtomsLocal = 0 |
| 51 |
> |
integer :: nGroupsLocal = 0 |
| 52 |
|
integer :: myNode = 0 |
| 53 |
< |
integer :: numberProcessors = 0 |
| 53 |
> |
integer :: nProcessors = 0 |
| 54 |
|
integer :: rowComm = 0 |
| 55 |
|
integer :: columnComm = 0 |
| 56 |
< |
integer :: numberRows = 0 |
| 57 |
< |
integer :: numberColumns = 0 |
| 58 |
< |
integer :: nComponentsRow = 0 |
| 59 |
< |
integer :: nComponentsColumn = 0 |
| 60 |
< |
integer :: nGroupRow = 0 |
| 61 |
< |
integer :: nGroupColumn = 0 |
| 56 |
> |
integer :: nRows = 0 |
| 57 |
> |
integer :: nColumns = 0 |
| 58 |
> |
integer :: nAtomsInRow = 0 |
| 59 |
> |
integer :: nAtomsInColumn = 0 |
| 60 |
> |
integer :: nGroupsInRow = 0 |
| 61 |
> |
integer :: nGroupsInColumn = 0 |
| 62 |
|
integer :: rowIndex = 0 |
| 63 |
|
integer :: columnIndex = 0 |
| 64 |
|
end type mpiComponentPlan |
