| 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); |
| 100 |
|
case MOLECULE: |
| 101 |
|
mpiEventContainer.type = mpiMOLECULE; |
| 102 |
|
mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
| 103 |
< |
break; |
| 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; |
| 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; |
| 113 |
> |
break; |
| 114 |
|
|
| 115 |
|
case ATOM: |
| 116 |
|
mpiEventContainer.type = mpiATOM; |
| 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: |
| 353 |
|
MPI_Bcast(the_event.evt.mbrs.memberList, the_event.evt.mbrs.nMembers, |