1 |
#idndef __MPIINTERFACE_H |
2 |
#define __MPIINTERFACE_H |
3 |
|
4 |
#define MPI_INTERFACE_ABORT 2 |
5 |
#define MPI_INTERFACE_DONE 1 |
6 |
#define MPI_INTEFACE_CONTINUE 0 |
7 |
|
8 |
|
9 |
|
10 |
|
11 |
|
12 |
#include "BASS_interface.h" |
13 |
#include <mpi.h> |
14 |
|
15 |
extern void mpiInterfaceExit(void); |
16 |
extern void throwMPIEvent(event* event); |
17 |
extern void mpiEventLoop(void); |
18 |
|
19 |
// Structure to pass mpi a BASS event |
20 |
|
21 |
typedef struct mpiBASSEvent{ |
22 |
int type; |
23 |
double d1,d2,d3; |
24 |
int i1,i2,i3,i4; |
25 |
char cArray[120]; |
26 |
} mBEvent; |
27 |
|
28 |
// types for mpiBASSEvent.type |
29 |
#define mpiMOLECULE 0 |
30 |
#define mpiATOM 1 |
31 |
#define mpiBOND 2 |
32 |
#define mpiBEND 3 |
33 |
#define mpiTORSION 4 |
34 |
#define mpiCOMPONENT 5 |
35 |
#define mpiPOSITION 6 |
36 |
#define mpiASSIGNMENT_i 7 |
37 |
#define mpiASSIGNMENT_d 8 |
38 |
#define mpiASSIGNMENT_s 9 |
39 |
#define mpiMEMBER 10 |
40 |
|
41 |
#define mpiCONSTRAINT 11 |
42 |
#define mpiORIENTATION 12 |
43 |
#define mpiBLOCK_END 13 |
44 |
|
45 |
|
46 |
// Define the mpi datatype |
47 |
MPI_Datatype mpiBASSEventType; |
48 |
|
49 |
|
50 |
#endif |