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Comparing trunk/OOPSE-4/src/io/mpiBASS.c (file contents):
Revision 1490 by gezelter, Fri Sep 24 04:16:43 2004 UTC vs.
Revision 2263 by tim, Wed Jul 13 15:54:00 2005 UTC

# Line 1 | Line 1
1 + /*
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   #ifdef IS_MPI
43   #include <stdlib.h>
44   #include <stdio.h>
45   #include <string.h>
46  
47   #define __mpiBASSEVENT
48 < #include "mpiBASS.h"
49 < #include "simError.h"
48 > #include "io/mpiBASS.h"
49 > #include "utils/simError.h"
50  
51  
52   void mpiCatchEvent(void);
# Line 58 | Line 99 | void throwMPIEvent(event* the_event)
99      switch (the_event->event_type){
100      case MOLECULE:
101        mpiEventContainer.type = mpiMOLECULE;
102 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int  
103 <    break;
102 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int  */
103 >      break;
104  
105      case RIGIDBODY:
106        mpiEventContainer.type = mpiRIGIDBODY;
107 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int  
108 <    break;
107 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int  */
108 >      break;
109  
110      case CUTOFFGROUP:
111        mpiEventContainer.type = mpiCUTOFFGROUP;
112 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int  
113 <    break;
112 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int  */
113 >      break;
114  
115      case ATOM:
116        mpiEventContainer.type = mpiATOM;
117 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int
117 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int*/
118        break;
119  
120      case BOND:
121        mpiEventContainer.type = mpiBOND;
122 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int
122 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int*/
123        break;
124  
125      case BEND:
126        mpiEventContainer.type = mpiBEND;
127 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int
127 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int*/
128        break;
129  
130      case TORSION:
131        mpiEventContainer.type = mpiTORSION;
132 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int
132 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int*/
133        break;
134  
135      case ZCONSTRAINT:
136        mpiEventContainer.type = mpiZCONSTRAINT;
137 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int
137 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int*/
138        break;
139  
140      case COMPONENT:
141        mpiEventContainer.type = mpiCOMPONENT;
142 <      mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int
142 >      mpiEventContainer.i1 = the_event->evt.blk_index; /* pack block index into first int*/
143        break;
144  
145      case POSITION:
146        mpiEventContainer.type = mpiPOSITION;
147 <      mpiEventContainer.d1 = the_event->evt.pos.x; // pack pos coord into d
147 >      mpiEventContainer.d1 = the_event->evt.pos.x; /* pack pos coord into d*/
148        mpiEventContainer.d2 = the_event->evt.pos.y;
149        mpiEventContainer.d3 = the_event->evt.pos.z;  
150        break;
151  
152      case ORIENTATION:
153        mpiEventContainer.type = mpiORIENTATION;
154 <      mpiEventContainer.d1 = the_event->evt.ornt.phi; // pack orientation coord into d
154 >      mpiEventContainer.d1 = the_event->evt.ornt.phi; /* pack orientation coord into d*/
155        mpiEventContainer.d2 = the_event->evt.ornt.theta;
156        mpiEventContainer.d3 = the_event->evt.ornt.psi;  
157        break;
158        
159      case CONSTRAINT:
160        mpiEventContainer.type = mpiCONSTRAINT;
161 <      mpiEventContainer.d1 = the_event->evt.cnstr; // pack constraint coord into d
161 >      mpiEventContainer.d1 = the_event->evt.cnstr; /* pack constraint coord into d*/
162        break;
163        
164      case MEMBERS:
165        mpiEventContainer.type = mpiMEMBERS;
166 <      mpiEventContainer.i1 = the_event->evt.mbrs.nMembers ; // pack member ints into i
166 >      mpiEventContainer.i1 = the_event->evt.mbrs.nMembers ; /* pack member ints into i*/
167        break;
168        
169      case ASSIGNMENT:
# Line 167 | Line 208 | void throwMPIEvent(event* the_event)
208  
209      if (the_event->event_type == MEMBERS) {
210  
211 <      // For member lists, we need a separate broadcast to spew out the
212 <      // membership array:
211 >      /* For member lists, we need a separate broadcast to spew out the*/
212 >      /* membership array:*/
213        MPI_Bcast(the_event->evt.mbrs.memberList, the_event->evt.mbrs.nMembers,
214                  MPI_INT, 0, MPI_COMM_WORLD);
215        
# Line 182 | Line 223 | void throwMPIEvent(event* the_event)
223   }
224  
225  
226 < // Everybody but node 0 runs this
226 > /* Everybody but node 0 runs this*/
227   void mpiEventLoop(void)
228   {
229    int mpiContinue;
# Line 306 | Line 347 | void mpiCatchEvent(void)
347      the_event.evt.mbrs.nMembers = mpiEventContainer.i1;
348  
349      the_event.evt.mbrs.memberList = (int *) calloc(the_event.evt.mbrs.nMembers,
350 <                                                    sizeof(int));
350 >                                                   sizeof(int));
351      
352 <    // Grab the member list since we have a number of members:
352 >    /* Grab the member list since we have a number of members:*/
353      MPI_Bcast(the_event.evt.mbrs.memberList, the_event.evt.mbrs.nMembers,
354                MPI_INT, 0, MPI_COMM_WORLD);
355      

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