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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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*/ |
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|
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#ifdef IS_MPI |
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#include <stdlib.h> |
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#include <stdio.h> |
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#include <string.h> |
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|
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#define __mpiBASSEVENT |
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#include "io/mpiBASS.h" |
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#include "utils/simError.h" |
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|
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|
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void mpiCatchEvent(void); |
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|
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|
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|
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|
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void mpiEventInit(void) |
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{ |
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int blockCounts[5] = {1,3,1,120,80}; |
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MPI_Aint dspls[5]; |
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MPI_Datatype types[5]; |
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mBEvent protoEvent; |
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|
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int i; |
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|
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MPI_Address(&protoEvent.type, &dspls[0]); |
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MPI_Address(&protoEvent.d1, &dspls[1]); |
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MPI_Address(&protoEvent.i1, &dspls[2]); |
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MPI_Address(&protoEvent.cArray, &dspls[3]); |
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MPI_Address(&protoEvent.lhs , &dspls[4]); |
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|
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|
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types[0] = MPI_INT; |
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types[1] = MPI_DOUBLE; |
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types[2] = MPI_INT; |
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types[3] = MPI_CHAR; |
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types[4] = MPI_CHAR; |
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|
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|
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for (i =4; i >= 0; i--) dspls[i] -= dspls[0]; |
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|
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MPI_Type_struct(5,blockCounts,dspls,types,&mpiBASSEventType); |
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MPI_Type_commit(&mpiBASSEventType); |
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} |
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|
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|
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void throwMPIEvent(event* the_event) |
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{ |
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mBEvent mpiEventContainer; |
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int mpiStatus; |
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|
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|
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if (the_event == NULL) mpiStatus = MPI_INTERFACE_DONE; |
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else mpiStatus = MPI_INTERFACE_CONTINUE; |
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|
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MPI_Bcast(&mpiStatus,1,MPI_INT,0,MPI_COMM_WORLD); |
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|
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if (!mpiStatus){ |
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switch (the_event->event_type){ |
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case MOLECULE: |
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mpiEventContainer.type = mpiMOLECULE; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case RIGIDBODY: |
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mpiEventContainer.type = mpiRIGIDBODY; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case CUTOFFGROUP: |
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mpiEventContainer.type = mpiCUTOFFGROUP; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case ATOM: |
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mpiEventContainer.type = mpiATOM; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case BOND: |
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mpiEventContainer.type = mpiBOND; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case BEND: |
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mpiEventContainer.type = mpiBEND; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case TORSION: |
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mpiEventContainer.type = mpiTORSION; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case ZCONSTRAINT: |
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mpiEventContainer.type = mpiZCONSTRAINT; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case COMPONENT: |
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mpiEventContainer.type = mpiCOMPONENT; |
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mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
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break; |
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|
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case POSITION: |
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mpiEventContainer.type = mpiPOSITION; |
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mpiEventContainer.d1 = the_event->evt.pos.x; // pack pos coord into d |
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mpiEventContainer.d2 = the_event->evt.pos.y; |
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mpiEventContainer.d3 = the_event->evt.pos.z; |
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break; |
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|
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case ORIENTATION: |
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mpiEventContainer.type = mpiORIENTATION; |
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mpiEventContainer.d1 = the_event->evt.ornt.phi; // pack orientation coord into d |
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mpiEventContainer.d2 = the_event->evt.ornt.theta; |
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mpiEventContainer.d3 = the_event->evt.ornt.psi; |
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break; |
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|
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case CONSTRAINT: |
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mpiEventContainer.type = mpiCONSTRAINT; |
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mpiEventContainer.d1 = the_event->evt.cnstr; // pack constraint coord into d |
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break; |
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|
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case MEMBERS: |
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mpiEventContainer.type = mpiMEMBERS; |
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mpiEventContainer.i1 = the_event->evt.mbrs.nMembers ; // pack member ints into i |
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break; |
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|
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case ASSIGNMENT: |
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|
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strcpy(mpiEventContainer.lhs,the_event->evt.asmt.lhs); |
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|
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#ifdef MPIBASS_VERBOSE |
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|
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fprintf(stderr, |
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"mpiDiag at node %d: evt Assignment: \"%s\" = ?\n" |
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" mpi Assignment: \"%s\" = ?\n", |
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worldRank, |
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the_event->evt.asmt.lhs, |
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mpiEventContainer.lhs); |
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#endif |
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|
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switch (the_event->evt.asmt.asmt_type){ |
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case STRING: |
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mpiEventContainer.type = mpiASSIGNMENT_s; |
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strcpy(mpiEventContainer.cArray,the_event->evt.asmt.rhs.sval); |
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break; |
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|
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case INT: |
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mpiEventContainer.type = mpiASSIGNMENT_i; |
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mpiEventContainer.i1 = the_event->evt.asmt.rhs.ival; |
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break; |
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|
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case DOUBLE: |
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mpiEventContainer.type = mpiASSIGNMENT_d; |
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mpiEventContainer.d1 = the_event->evt.asmt.rhs.dval; |
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break; |
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} |
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break; |
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|
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case BLOCK_END: |
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mpiEventContainer.type = mpiBLOCK_END; |
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break; |
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} |
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|
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|
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MPI_Bcast(&mpiEventContainer,1,mpiBASSEventType,0,MPI_COMM_WORLD); |
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|
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if (the_event->event_type == MEMBERS) { |
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|
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// For member lists, we need a separate broadcast to spew out the |
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// membership array: |
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MPI_Bcast(the_event->evt.mbrs.memberList, the_event->evt.mbrs.nMembers, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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|
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} |
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|
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sprintf( checkPointMsg, |
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"BASS Event broadcast successful" ); |
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|
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MPIcheckPoint(); |
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} |
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} |
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|
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|
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// Everybody but node 0 runs this |
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void mpiEventLoop(void) |
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{ |
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int mpiContinue; |
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|
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#ifdef MPIBASS_VERBOSE |
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fprintf(stderr, |
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"event key List at node %d:\n" |
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" MOLECULE %d\n" |
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" ATOM %d\n" |
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" BOND %d\n" |
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" BEND %d\n" |
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" TORSION %d\n" |
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" COMPONENT %d\n" |
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" POSITION %d\n" |
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" ASSIGNMENT %d\n" |
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" MEMBERS %d\n" |
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" CONSTRAINT %d\n" |
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" ORIENTATION %d\n" |
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" ZCONSTRAINT %d\n" |
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" RIGIDBODY %d\n" |
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" CUTOFFGROUP %d\n" |
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" BLOCK_END %d\n" |
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"\n", |
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worldRank, |
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MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT, |
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POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION, |
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ZCONSTRAINT, RIGIDBODY, CUTOFFGROUP, BLOCK_END ); |
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#endif |
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|
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MPI_Bcast(&mpiContinue,1,MPI_INT,0,MPI_COMM_WORLD); |
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|
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while(!mpiContinue){ |
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|
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mpiCatchEvent(); |
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|
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MPI_Bcast(&mpiContinue,1,MPI_INT,0,MPI_COMM_WORLD); |
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} |
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|
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if (mpiContinue == MPI_INTERFACE_ABORT){ |
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MPI_Finalize(); |
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exit (0); |
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} |
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} |
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|
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void mpiCatchEvent(void) |
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{ |
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event the_event; |
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mBEvent mpiEventContainer; |
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|
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|
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MPI_Bcast(&mpiEventContainer,1,mpiBASSEventType,0,MPI_COMM_WORLD); |
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|
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switch (mpiEventContainer.type){ |
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case mpiMOLECULE: |
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the_event.event_type = MOLECULE; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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case mpiRIGIDBODY: |
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the_event.event_type = RIGIDBODY; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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case mpiCUTOFFGROUP: |
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the_event.event_type = CUTOFFGROUP; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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case mpiATOM: |
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the_event.event_type = ATOM; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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case mpiBOND: |
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the_event.event_type = BOND; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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case mpiBEND: |
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the_event.event_type = BEND; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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case mpiTORSION: |
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the_event.event_type = TORSION; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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case mpiZCONSTRAINT: |
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the_event.event_type = ZCONSTRAINT; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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case mpiCOMPONENT: |
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the_event.event_type = COMPONENT; |
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the_event.evt.blk_index = mpiEventContainer.i1; |
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break; |
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|
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|
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case mpiPOSITION: |
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the_event.event_type = POSITION; |
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the_event.evt.pos.x = mpiEventContainer.d1; |
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the_event.evt.pos.y = mpiEventContainer.d2; |
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the_event.evt.pos.z = mpiEventContainer.d3; |
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break; |
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|
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case mpiORIENTATION: |
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the_event.event_type = ORIENTATION; |
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the_event.evt.ornt.phi = mpiEventContainer.d1; |
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the_event.evt.ornt.theta = mpiEventContainer.d2; |
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the_event.evt.ornt.psi = mpiEventContainer.d3; |
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break; |
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|
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case mpiCONSTRAINT: |
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the_event.event_type = CONSTRAINT; |
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the_event.evt.cnstr = mpiEventContainer.d1; |
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break; |
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|
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case mpiMEMBERS: |
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the_event.event_type = MEMBERS; |
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the_event.evt.mbrs.nMembers = mpiEventContainer.i1; |
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|
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the_event.evt.mbrs.memberList = (int *) calloc(the_event.evt.mbrs.nMembers, |
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sizeof(int)); |
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|
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// Grab the member list since we have a number of members: |
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MPI_Bcast(the_event.evt.mbrs.memberList, the_event.evt.mbrs.nMembers, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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|
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break; |
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|
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case mpiASSIGNMENT_s: |
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the_event.event_type = ASSIGNMENT; |
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the_event.evt.asmt.asmt_type = STRING; |
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strcpy(the_event.evt.asmt.lhs,mpiEventContainer.lhs); |
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strcpy(the_event.evt.asmt.rhs.sval,mpiEventContainer.cArray); |
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|
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#ifdef MPIBASS_VERBOSE |
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|
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fprintf(stderr, "mpiDiag at node %d: Assignment: %s = %s\n", worldRank, |
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the_event.evt.asmt.lhs, |
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the_event.evt.asmt.rhs.sval ); |
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#endif |
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|
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break; |
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|
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case mpiASSIGNMENT_i: |
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the_event.event_type = ASSIGNMENT; |
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the_event.evt.asmt.asmt_type = INT; |
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strcpy(the_event.evt.asmt.lhs,mpiEventContainer.lhs); |
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the_event.evt.asmt.rhs.ival = mpiEventContainer.i1; |
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|
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#ifdef MPIBASS_VERBOSE |
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|
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fprintf(stderr, "mpiDiag at node %d: Assignment: %s = %d\n", worldRank, |
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the_event.evt.asmt.lhs, |
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the_event.evt.asmt.rhs.ival ); |
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#endif |
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|
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break; |
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|
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case mpiASSIGNMENT_d: |
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the_event.event_type = ASSIGNMENT; |
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the_event.evt.asmt.asmt_type = DOUBLE; |
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strcpy(the_event.evt.asmt.lhs,mpiEventContainer.lhs); |
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the_event.evt.asmt.rhs.dval = mpiEventContainer.d1; |
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|
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#ifdef MPIBASS_VERBOSE |
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|
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fprintf(stderr, "mpiDiag at node %d: Assignment: %s = %lf\n", worldRank, |
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the_event.evt.asmt.lhs, |
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the_event.evt.asmt.rhs.dval ); |
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#endif |
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|
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break; |
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|
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case mpiBLOCK_END: |
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the_event.event_type = BLOCK_END; |
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break; |
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} |
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|
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#ifdef MPIBASS_VERBOSE |
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|
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fprintf(stderr, "mpiDiag at node %d: event type is %d\n", worldRank, |
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the_event.event_type); |
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#endif |
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|
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if (!event_handler(&the_event)){ |
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|
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sprintf(painCave.errMsg, |
417 |
"MPI event handling error at node %d => %s\n", |
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worldRank, |
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the_event.err_msg); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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MPIcheckPoint(); |
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} |
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|
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|
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void mpiInterfaceExit(void){ |
428 |
int mpiStatus = MPI_INTERFACE_ABORT; |
429 |
|
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MPI_Bcast(&mpiStatus,1,MPI_INT,0,MPI_COMM_WORLD); |
431 |
MPI_Finalize(); |
432 |
exit (0); |
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|
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} |
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#endif |