src/UseTheForce/mpiComponentPlan.h

 /*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 */
 
#ifdef __C
#ifndef USETHEFORCE_MPICOMPONENTPLAN_H
#define USETHEFORCE_MPICOMPONENTPLAN_H


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

typedef struct{
  int nMolGlobal;
  int nAtomsGlobal;
  int nGroupsGlobal;
  int nMolLocal;
  int nAtomsLocal;
  int nGroupsLocal;
  int myNode;
  int nProcessors;
  int rowComm;
  int columnComm;
  int nRows;
  int nColumns;
  int nAtomsInRow;
  int nAtomsInColumn;
  int nGroupsInRow;
  int nGroupsInColumn;
  int rowIndex;
  int columnIndex;
} mpiSimData;

#endif // __MPICOMPONENTPLAN_H__

#endif // __C


#ifdef __FORTRAN90
type, public :: mpiComponentPlan
     sequence
     integer :: nMolGlobal = 0
     integer :: nAtomsGlobal = 0
     integer :: nGroupsGlobal = 0
     integer :: nMolLocal = 0
     integer :: nAtomsLocal = 0
     integer :: nGroupsLocal = 0
     integer :: myNode = 0
     integer :: nProcessors = 0
     integer :: rowComm = 0
     integer :: columnComm = 0
     integer :: nRows = 0
     integer :: nColumns = 0
     integer :: nAtomsInRow = 0
     integer :: nAtomsInColumn = 0
     integer :: nGroupsInRow = 0
     integer :: nGroupsInColumn = 0
     integer :: rowIndex = 0
     integer :: columnIndex = 0
end type mpiComponentPlan

#endif
Revision:	246
Committed:	Wed Jan 12 22:41:40 2005 UTC (20 years, 9 months ago) by gezelter
Content type:	text/plain
File size:	3345 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	User	Rev	Content
1	gezelter	246	/*
2			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3			*
4			* The University of Notre Dame grants you ("Licensee") a
5			* non-exclusive, royalty free, license to use, modify and
6			* redistribute this software in source and binary code form, provided
7			* that the following conditions are met:
8			*
9			* 1. Acknowledgement of the program authors must be made in any
10			* publication of scientific results based in part on use of the
11			* program. An acceptable form of acknowledgement is citation of
12			* the article in which the program was described (Matthew
13			* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14			* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15			* Parallel Simulation Engine for Molecular Dynamics,"
16			* J. Comput. Chem. 26, pp. 252-271 (2005))
17			*
18			* 2. Redistributions of source code must retain the above copyright
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*/
41
42	gezelter	2	#ifdef __C
43	gezelter	246	#ifndef USETHEFORCE_MPICOMPONENTPLAN_H
44			#define USETHEFORCE_MPICOMPONENTPLAN_H
45	gezelter	2
46	chuckv	109
47	gezelter	2	/** This header provides dual access for mpiComponentPlan
48			structure in fortran and in c, C++.
49			*/
50
51			typedef struct{
52			int nMolGlobal;
53			int nAtomsGlobal;
54			int nGroupsGlobal;
55			int nMolLocal;
56			int nAtomsLocal;
57			int nGroupsLocal;
58			int myNode;
59			int nProcessors;
60			int rowComm;
61			int columnComm;
62			int nRows;
63			int nColumns;
64			int nAtomsInRow;
65			int nAtomsInColumn;
66			int nGroupsInRow;
67			int nGroupsInColumn;
68			int rowIndex;
69			int columnIndex;
70			} mpiSimData;
71
72			#endif // __MPICOMPONENTPLAN_H__
73
74			#endif // __C
75
76
77			#ifdef __FORTRAN90
78			type, public :: mpiComponentPlan
79			sequence
80			integer :: nMolGlobal = 0
81			integer :: nAtomsGlobal = 0
82			integer :: nGroupsGlobal = 0
83			integer :: nMolLocal = 0
84			integer :: nAtomsLocal = 0
85			integer :: nGroupsLocal = 0
86			integer :: myNode = 0
87			integer :: nProcessors = 0
88			integer :: rowComm = 0
89			integer :: columnComm = 0
90			integer :: nRows = 0
91			integer :: nColumns = 0
92			integer :: nAtomsInRow = 0
93			integer :: nAtomsInColumn = 0
94			integer :: nGroupsInRow = 0
95			integer :: nGroupsInColumn = 0
96			integer :: rowIndex = 0
97			integer :: columnIndex = 0
98			end type mpiComponentPlan
99
100			#endif