| 1 |
< |
#ifdef __C |
| 2 |
< |
#ifndef __MPICOMPONENTPLAN_H__ |
| 3 |
< |
#define __MPICOMPONENTPLAN_H__ |
| 1 |
> |
#ifdef __OPENMD_C |
| 2 |
> |
#ifndef USETHEFORCE_MPICOMPONENTPLAN_H |
| 3 |
> |
#define USETHEFORCE_MPICOMPONENTPLAN_H |
| 4 |
|
|
| 5 |
+ |
|
| 6 |
|
/** This header provides dual access for mpiComponentPlan |
| 7 |
|
structure in fortran and in c, C++. |
| 8 |
|
*/ |
| 11 |
|
int nMolGlobal; |
| 12 |
|
int nAtomsGlobal; |
| 13 |
|
int nGroupsGlobal; |
| 13 |
– |
int nBondsGlobal; |
| 14 |
– |
int nBendsGlobal; |
| 15 |
– |
int nTorsionsGlobal; |
| 16 |
– |
int nSRIGlobal; |
| 14 |
|
int nMolLocal; |
| 15 |
|
int nAtomsLocal; |
| 16 |
|
int nGroupsLocal; |
| 28 |
|
int columnIndex; |
| 29 |
|
} mpiSimData; |
| 30 |
|
|
| 31 |
< |
#endif // __MPICOMPONENTPLAN_H__ |
| 31 |
> |
#endif /* __MPICOMPONENTPLAN_H__*/ |
| 32 |
|
|
| 33 |
< |
#endif // __C |
| 33 |
> |
#endif /* __OPENMD_C*/ |
| 34 |
|
|
| 35 |
|
|
| 36 |
|
#ifdef __FORTRAN90 |
| 37 |
< |
type, public :: mpiComponentPlan |
| 38 |
< |
sequence |
| 39 |
< |
integer :: nMolGlobal = 0 |
| 40 |
< |
integer :: nAtomsGlobal = 0 |
| 41 |
< |
integer :: nGroupsGlobal = 0 |
| 42 |
< |
integer :: nBondsGlobal = 0 |
| 43 |
< |
integer :: nBendsGlobal = 0 |
| 44 |
< |
integer :: nTorsionsGlobal = 0 |
| 45 |
< |
integer :: nSRIGlobal = 0 |
| 46 |
< |
integer :: nMolLocal = 0 |
| 47 |
< |
integer :: nAtomsLocal = 0 |
| 48 |
< |
integer :: nGroupsLocal = 0 |
| 49 |
< |
integer :: myNode = 0 |
| 50 |
< |
integer :: nProcessors = 0 |
| 51 |
< |
integer :: rowComm = 0 |
| 52 |
< |
integer :: columnComm = 0 |
| 53 |
< |
integer :: nRows = 0 |
| 54 |
< |
integer :: nColumns = 0 |
| 55 |
< |
integer :: nAtomsInRow = 0 |
| 56 |
< |
integer :: nAtomsInColumn = 0 |
| 57 |
< |
integer :: nGroupsInRow = 0 |
| 61 |
< |
integer :: nGroupsInColumn = 0 |
| 62 |
< |
integer :: rowIndex = 0 |
| 63 |
< |
integer :: columnIndex = 0 |
| 64 |
< |
end type mpiComponentPlan |
| 37 |
> |
type, public :: mpiComponentPlan |
| 38 |
> |
sequence |
| 39 |
> |
integer :: nMolGlobal = 0 |
| 40 |
> |
integer :: nAtomsGlobal = 0 |
| 41 |
> |
integer :: nGroupsGlobal = 0 |
| 42 |
> |
integer :: nMolLocal = 0 |
| 43 |
> |
integer :: nAtomsLocal = 0 |
| 44 |
> |
integer :: nGroupsLocal = 0 |
| 45 |
> |
integer :: myNode = 0 |
| 46 |
> |
integer :: nProcessors = 0 |
| 47 |
> |
integer :: rowComm = 0 |
| 48 |
> |
integer :: columnComm = 0 |
| 49 |
> |
integer :: nRows = 0 |
| 50 |
> |
integer :: nColumns = 0 |
| 51 |
> |
integer :: nAtomsInRow = 0 |
| 52 |
> |
integer :: nAtomsInColumn = 0 |
| 53 |
> |
integer :: nGroupsInRow = 0 |
| 54 |
> |
integer :: nGroupsInColumn = 0 |
| 55 |
> |
integer :: rowIndex = 0 |
| 56 |
> |
integer :: columnIndex = 0 |
| 57 |
> |
end type mpiComponentPlan |
| 58 |
|
|
| 59 |
|
#endif |
