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root/group/trunk/OOPSE_old/src/mdtools/libmdCode/mpiSimulation.hpp
Revision: 270
Committed: Fri Feb 14 17:08:46 2003 UTC (21 years, 5 months ago) by mmeineke
File size: 1780 byte(s)
Log Message:
added libmdCode and a couple help scripts

File Contents

# Content
1 #ifndef __MPISIMULATION__
2 #define __MPISIMULATION__
3
4 #include "SimInfo.hpp"
5 #include "MakeStamps.hpp"
6 #define __C
7 #include "mpiComponentPlan.h"
8
9
10 class mpiSimulation{
11 public:
12
13 mpiSimulation(SimInfo* the_entryPlug);
14 ~mpiSimulation();
15
16 int *divideLabor( void );
17
18 int getMyNode(void) { return mpiPlug->myNode; }
19 int getNumberProcessors(void) { return mpiPlug->numberProcessors; }
20 int getMyMolStart( void ) { return mpiPlug->myMolStart; }
21 int getMyMolEnd( void ) { return mpiPlug->myMolEnd; }
22 int getMyMol( void ) { return mpiPlug->myMol; }
23 int getMyAtomStart( void ) { return mpiPlug->myAtomStart; }
24 int getMyAtomEnd( void ) { return mpiPlug->myAtomEnd; }
25 int getMyNlocal( void ) { return mpiPlug->myNlocal; }
26 int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; }
27
28
29 // sets the internal function pointer to fortran.
30
31 void setInternal( void (*fSetup)( mpiSimData*, int*, int*, int*) ){
32 setFsimParallel = fSetup;
33 }
34
35
36 // call at the begining and after load balancing
37
38 void mpiRefresh( void );
39
40 protected:
41 SimInfo* entryPlug;
42 mpiSimData* mpiPlug;
43
44 // function to wrap the fortran function
45 void wrapMe();
46
47 // private function to initialize the fortran side of the simulation
48 void (*setFsimParallel)(mpiSimData* the_mpiPlug, int *nLocal,
49 int* globalIndex, int* isError );
50
51 // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is.
52
53 };
54
55
56 /**
57 The following pointer is the global declaration of the mpiSim
58 object created when the mpiSimulation creation routine is
59 called. Every one who includes the header file will then have
60 access to all of the routines in mpiSimulation class.
61 */
62
63 extern mpiSimulation* mpiSim;
64
65 #endif