OOPSE/libmdtools/mpiComponentPlan.h

#ifdef __C
#ifndef __MPICOMPONENTPLAN_H__
#define __MPICOMPONENTPLAN_H__

/** This header provides dual access for mpiComponentPlan 
    structure in fortran and in c, C++. 
*/

typedef struct{
  int nMolGlobal;
  int nAtomsGlobal;
  int nBondsGlobal;
  int nBendsGlobal;
  int nTorsionsGlobal;
  int nSRIGlobal;
  int myNMol;
  int myNlocal;
  int myNgroup;
  int myNode;
  int numberProcessors;
  int rowComm;
  int columnComm;
  int numberRows;
  int numberColumns;
  int nComponentsRow;
  int nComponentsColumn;
  int nGroupRow;
  int nGroupColumn;
  int rowIndex;
  int columnIndex;
} mpiSimData;

#endif // __MPICOMPONENTPLAN_H__

#endif // __C


#ifdef __FORTRAN90
type, public :: mpiComponentPlan
     sequence
     integer :: nMolGlobal = 0
     integer :: nAtomsGlobal = 0
     integer :: nBondsGlobal = 0
     integer :: nBendsGlobal = 0
     integer :: nTorsionsGlobal = 0
     integer :: nSRIGlobal = 0
     integer :: myNMol = 0
     integer :: myNlocal = 0
     integer :: myNgroup = 0
     integer :: myNode = 0
     integer :: numberProcessors = 0
     integer :: rowComm = 0
     integer :: columnComm = 0
     integer :: numberRows = 0
     integer :: numberColumns = 0
     integer :: nComponentsRow = 0
     integer :: nComponentsColumn = 0
     integer :: nGroupRow = 0
     integer :: nGroupColumn = 0
     integer :: rowIndex = 0
     integer :: columnIndex = 0
end type mpiComponentPlan

#endif
Revision:	1150
Committed:	Fri May 7 21:35:05 2004 UTC (20 years, 2 months ago) by gezelter
Content type:	text/plain
File size:	1420 byte(s)
Log Message:	Many changes to get group-based cutoffs to work
#	User	Rev	Content
1	mmeineke	377	#ifdef __C
2	mmeineke	836	#ifndef __MPICOMPONENTPLAN_H__
3			#define __MPICOMPONENTPLAN_H__
4
5	gezelter	1150	/** This header provides dual access for mpiComponentPlan
6	mmeineke	377	structure in fortran and in c, C++.
7			*/
8
9			typedef struct{
10			int nMolGlobal;
11			int nAtomsGlobal;
12			int nBondsGlobal;
13			int nBendsGlobal;
14			int nTorsionsGlobal;
15			int nSRIGlobal;
16	gezelter	405	int myNMol;
17	mmeineke	377	int myNlocal;
18	gezelter	1150	int myNgroup;
19	mmeineke	377	int myNode;
20			int numberProcessors;
21			int rowComm;
22			int columnComm;
23			int numberRows;
24			int numberColumns;
25			int nComponentsRow;
26			int nComponentsColumn;
27	gezelter	1150	int nGroupRow;
28			int nGroupColumn;
29	mmeineke	377	int rowIndex;
30			int columnIndex;
31			} mpiSimData;
32
33	mmeineke	836	#endif // __MPICOMPONENTPLAN_H__
34	mmeineke	377
35	mmeineke	836	#endif // __C
36	mmeineke	377
37
38			#ifdef __FORTRAN90
39			type, public :: mpiComponentPlan
40			sequence
41			integer :: nMolGlobal = 0
42			integer :: nAtomsGlobal = 0
43			integer :: nBondsGlobal = 0
44			integer :: nBendsGlobal = 0
45			integer :: nTorsionsGlobal = 0
46			integer :: nSRIGlobal = 0
47	gezelter	405	integer :: myNMol = 0
48	mmeineke	377	integer :: myNlocal = 0
49	gezelter	1150	integer :: myNgroup = 0
50	mmeineke	377	integer :: myNode = 0
51			integer :: numberProcessors = 0
52			integer :: rowComm = 0
53			integer :: columnComm = 0
54			integer :: numberRows = 0
55			integer :: numberColumns = 0
56			integer :: nComponentsRow = 0
57			integer :: nComponentsColumn = 0
58	gezelter	1150	integer :: nGroupRow = 0
59			integer :: nGroupColumn = 0
60	mmeineke	377	integer :: rowIndex = 0
61			integer :: columnIndex = 0
62			end type mpiComponentPlan
63
64			#endif