7 |
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#ifdef IS_MPI |
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#include <mpi.h> |
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#include "mpiSimulation.hpp" |
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#define TAKE_THIS_TAG_CHAR 1 |
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#define TAKE_THIS_TAG_INT 2 |
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|
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namespace dWrite{ |
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< |
void nodeZeroError( void ); |
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< |
void anonymousNodeDie( void ); |
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> |
void DieDieDie( void ); |
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} |
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|
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using namespace dWrite; |
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void DumpWriter::writeDump( double currentTime ){ |
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|
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const int BUFFERSIZE = 2000; |
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const int MINIBUFFERSIZE = 100; |
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|
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char tempBuffer[BUFFERSIZE]; |
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char writeLine[BUFFERSIZE]; |
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|
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int i; |
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|
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#ifdef IS_MPI |
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|
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int *potatoes; |
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int myPotato; |
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|
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int nProc; |
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int j, which_node, done, which_atom, local_index; |
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double atomData6[6]; |
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double atomData13[13]; |
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int isDirectional; |
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char* atomTypeString; |
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char MPIatomTypeString[MINIBUFFERSIZE]; |
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|
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#else //is_mpi |
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int nAtoms = entry_plug->n_atoms; |
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#endif //is_mpi |
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Atom** atoms = entry_plug->atoms; |
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double pos[3], vel[3]; |
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|
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|
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// write current frame to the eor file |
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|
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this->writeFinal( currentTime ); |
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|
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#else // is_mpi |
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|
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// first thing first, suspend fatalities. |
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< |
painCave.isEventLoop = 1; |
163 |
> |
/* code to find maximum tag value */ |
164 |
> |
int *tagub, flag, MAXTAG; |
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> |
MPI_Attr_get(MPI_COMM_WORLD, MPI_TAG_UB, &tagub, &flag); |
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if (flag) { |
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> |
MAXTAG = *tagub; |
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> |
} else { |
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> |
MAXTAG = 32767; |
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> |
} |
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|
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int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone |
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int haveError; |
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|
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MPI_Status istatus; |
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// write out header and node 0's coordinates |
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|
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if( worldRank == 0 ){ |
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|
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// Node 0 needs a list of the magic potatoes for each processor; |
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|
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nProc = mpiSim->getNumberProcessors(); |
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potatoes = new int[nProc]; |
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|
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for (i = 0; i < nProc; i++) |
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potatoes[i] = 0; |
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|
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outFile << mpiSim->getTotAtoms() << "\n"; |
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|
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outFile << currentTime << ";\t" |
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outFile << entry_plug->the_integrator->getAdditionalParameters(); |
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outFile << endl; |
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outFile.flush(); |
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|
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for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
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|
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// Get the Node number which has this atom; |
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|
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|
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which_node = AtomToProcMap[i]; |
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|
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if (which_node != 0) { |
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|
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< |
if (which_node == 0 ) { |
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if (potatoes[which_node] + 3 >= MAXTAG) { |
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// The potato was going to exceed the maximum value, |
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// so wrap this processor potato back to 0: |
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|
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potatoes[which_node] = 0; |
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MPI_Send(0, 1, MPI_INT, which_node, 0, MPI_COMM_WORLD); |
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|
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} |
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|
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myPotato = potatoes[which_node]; |
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|
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MPI_Recv(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node, |
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myPotato, MPI_COMM_WORLD, &istatus); |
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|
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strncpy(atomTypeString, MPIatomTypeString, MINIBUFFERSIZE); |
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|
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// Null terminate the atomTypeString just in case: |
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|
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atomTypeString[strlen(atomTypeString) - 1] = '\0'; |
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|
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myPotato++; |
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|
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MPI_Recv(&isDirectional, 1, MPI_INT, which_node, |
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myPotato, MPI_COMM_WORLD, &istatus); |
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|
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myPotato++; |
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|
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if (isDirectional) { |
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MPI_Recv(atomData13, 13, MPI_DOUBLE, which_node, |
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myPotato, MPI_COMM_WORLD, &istatus); |
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} else { |
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MPI_Recv(atomData6, 6, MPI_DOUBLE, which_node, |
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myPotato, MPI_COMM_WORLD, &istatus); |
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} |
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|
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myPotato++; |
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potatoes[which_node] = myPotato; |
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|
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} else { |
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|
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haveError = 0; |
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which_atom = i; |
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local_index=-1; |
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|
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for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
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if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
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} |
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|
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if (local_index != -1) { |
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//format the line |
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|
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atomTypeString = atoms[local_index]->getType(); |
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|
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atoms[local_index]->getPos(pos); |
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< |
atoms[local_index]->getVel(vel); |
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atoms[local_index]->getVel(vel); |
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|
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sprintf( tempBuffer, |
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< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
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< |
atoms[local_index]->getType(), |
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< |
pos[0], |
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pos[1], |
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pos[2], |
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vel[0], |
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vel[1], |
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vel[2]); // check here. |
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strcpy( writeLine, tempBuffer ); |
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> |
atomData6[0] = pos[0]; |
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> |
atomData6[1] = pos[1]; |
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> |
atomData6[2] = pos[2]; |
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|
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atomData6[3] = vel[0]; |
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atomData6[4] = vel[1]; |
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atomData6[5] = vel[2]; |
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|
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isDirectional = 0; |
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|
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if( atoms[local_index]->isDirectional() ){ |
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|
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isDirectional = 1; |
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|
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dAtom = (DirectionalAtom *)atoms[local_index]; |
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dAtom->getQ( q ); |
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|
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< |
sprintf( tempBuffer, |
289 |
< |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
290 |
< |
q[0], |
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< |
q[1], |
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< |
q[2], |
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< |
q[3], |
294 |
< |
dAtom->getJx(), |
295 |
< |
dAtom->getJy(), |
296 |
< |
dAtom->getJz()); |
297 |
< |
strcat( writeLine, tempBuffer ); |
298 |
< |
|
299 |
< |
} |
300 |
< |
else |
301 |
< |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
232 |
< |
} |
233 |
< |
else { |
288 |
> |
for (int j = 0; j < 6 ; j++) |
289 |
> |
atomData13[j] = atomData6[j]; |
290 |
> |
|
291 |
> |
atomData13[6] = q[0]; |
292 |
> |
atomData13[7] = q[1]; |
293 |
> |
atomData13[8] = q[2]; |
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> |
atomData13[9] = q[3]; |
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> |
|
296 |
> |
atomData13[10] = dAtom->getJx(); |
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> |
atomData13[11] = dAtom->getJy(); |
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> |
atomData13[12] = dAtom->getJz(); |
299 |
> |
} |
300 |
> |
|
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> |
} else { |
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sprintf(painCave.errMsg, |
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"Atom %d not found on processor %d\n", |
304 |
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i, worldRank ); |
305 |
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haveError= 1; |
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simError(); |
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} |
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|
309 |
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if(haveError) DieDieDie(); |
310 |
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|
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// If we've survived to here, format the line: |
312 |
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|
313 |
+ |
if (!isDirectional) { |
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|
315 |
< |
if(haveError) nodeZeroError(); |
315 |
> |
sprintf( tempBuffer, |
316 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
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> |
atomTypeString, |
318 |
> |
atomData6[0], |
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> |
atomData6[1], |
320 |
> |
atomData6[2], |
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> |
atomData6[3], |
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> |
atomData6[4], |
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> |
atomData6[5]); |
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> |
|
325 |
> |
strcpy( writeLine, tempBuffer ); |
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> |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
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|
|
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} else { |
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|
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sprintf( tempBuffer, |
331 |
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"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
332 |
+ |
atomTypeString, |
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atomData13[0], |
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atomData13[1], |
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atomData13[2], |
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atomData13[3], |
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atomData13[4], |
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atomData13[5], |
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atomData13[6], |
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atomData13[7], |
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atomData13[8], |
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atomData13[9], |
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atomData13[10], |
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atomData13[11], |
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+ |
atomData13[12]); |
346 |
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|
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strcat( writeLine, tempBuffer ); |
348 |
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|
349 |
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} |
350 |
+ |
|
351 |
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outFile << writeLine; |
352 |
+ |
outFile.flush(); |
353 |
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} |
244 |
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else { |
245 |
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myStatus = 1; |
246 |
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MPI_Send(&myStatus, 1, MPI_INT, which_node, |
247 |
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TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
248 |
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MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT, |
249 |
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MPI_COMM_WORLD); |
250 |
– |
MPI_Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
251 |
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TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus); |
252 |
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MPI_Recv(&myStatus, 1, MPI_INT, which_node, |
253 |
– |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
254 |
– |
|
255 |
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if(!myStatus) nodeZeroError(); |
256 |
– |
|
257 |
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} |
258 |
– |
|
259 |
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outFile << writeLine; |
260 |
– |
outFile.flush(); |
354 |
|
} |
355 |
|
|
356 |
< |
// kill everyone off: |
357 |
< |
myStatus = -1; |
358 |
< |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
359 |
< |
MPI_Send(&myStatus, 1, MPI_INT, j, |
360 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
268 |
< |
} |
269 |
< |
|
356 |
> |
outFile.flush(); |
357 |
> |
sprintf( checkPointMsg, |
358 |
> |
"Sucessfully took a dump.\n"); |
359 |
> |
MPIcheckPoint(); |
360 |
> |
|
361 |
|
} else { |
362 |
|
|
363 |
< |
done = 0; |
273 |
< |
while (!done) { |
363 |
> |
// worldRank != 0, so I'm a remote node. |
364 |
|
|
365 |
< |
MPI_Recv(&myStatus, 1, MPI_INT, 0, |
276 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
365 |
> |
// Set my magic potato to 0: |
366 |
|
|
367 |
< |
if(!myStatus) anonymousNodeDie(); |
367 |
> |
myPotato = 0; |
368 |
> |
|
369 |
> |
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
370 |
> |
|
371 |
> |
// Am I the node which has this atom? |
372 |
> |
|
373 |
> |
if (AtomToProcMap[i] == worldRank) { |
374 |
|
|
375 |
< |
if(myStatus < 0) break; |
375 |
> |
if (myPotato + 3 >= MAXTAG) { |
376 |
|
|
377 |
< |
MPI_Recv(&which_atom, 1, MPI_INT, 0, |
378 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
377 |
> |
// The potato was going to exceed the maximum value, |
378 |
> |
// so wrap this processor potato back to 0 (and block until |
379 |
> |
// node 0 says we can go: |
380 |
|
|
381 |
< |
myStatus = 1; |
382 |
< |
local_index=-1; |
383 |
< |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
288 |
< |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
289 |
< |
} |
290 |
< |
if (local_index != -1) { |
291 |
< |
//format the line |
381 |
> |
MPI_Recv(&myPotato, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &istatus); |
382 |
> |
|
383 |
> |
} |
384 |
|
|
385 |
< |
atoms[local_index]->getPos(pos); |
386 |
< |
atoms[local_index]->getVel(vel); |
385 |
> |
local_index=-1; |
386 |
> |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
387 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
388 |
> |
} |
389 |
> |
if (local_index != -1) { |
390 |
> |
|
391 |
> |
atomTypeString = atoms[local_index]->getType(); |
392 |
|
|
393 |
< |
sprintf( tempBuffer, |
394 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
298 |
< |
atoms[local_index]->getType(), |
299 |
< |
pos[0], |
300 |
< |
pos[1], |
301 |
< |
pos[2], |
302 |
< |
vel[0], |
303 |
< |
vel[1], |
304 |
< |
vel[2]); // check here. |
305 |
< |
strcpy( writeLine, tempBuffer ); |
393 |
> |
atoms[local_index]->getPos(pos); |
394 |
> |
atoms[local_index]->getVel(vel); |
395 |
|
|
396 |
< |
if( atoms[local_index]->isDirectional() ){ |
396 |
> |
atomData6[0] = pos[0]; |
397 |
> |
atomData6[1] = pos[1]; |
398 |
> |
atomData6[2] = pos[2]; |
399 |
|
|
400 |
< |
dAtom = (DirectionalAtom *)atoms[local_index]; |
401 |
< |
dAtom->getQ( q ); |
400 |
> |
atomData6[3] = vel[0]; |
401 |
> |
atomData6[4] = vel[1]; |
402 |
> |
atomData6[5] = vel[2]; |
403 |
> |
|
404 |
> |
isDirectional = 0; |
405 |
|
|
406 |
< |
sprintf( tempBuffer, |
407 |
< |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
408 |
< |
q[0], |
409 |
< |
q[1], |
410 |
< |
q[2], |
411 |
< |
q[3], |
412 |
< |
dAtom->getJx(), |
413 |
< |
dAtom->getJy(), |
414 |
< |
dAtom->getJz()); |
415 |
< |
strcat( writeLine, tempBuffer ); |
406 |
> |
if( atoms[local_index]->isDirectional() ){ |
407 |
> |
|
408 |
> |
isDirectional = 1; |
409 |
> |
|
410 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
411 |
> |
dAtom->getQ( q ); |
412 |
> |
|
413 |
> |
for (int j = 0; j < 6 ; j++) |
414 |
> |
atomData13[j] = atomData6[j]; |
415 |
> |
|
416 |
> |
atomData13[6] = q[0]; |
417 |
> |
atomData13[7] = q[1]; |
418 |
> |
atomData13[8] = q[2]; |
419 |
> |
atomData13[9] = q[3]; |
420 |
> |
|
421 |
> |
atomData13[10] = dAtom->getJx(); |
422 |
> |
atomData13[11] = dAtom->getJy(); |
423 |
> |
atomData13[12] = dAtom->getJz(); |
424 |
> |
} |
425 |
> |
|
426 |
> |
} else { |
427 |
> |
sprintf(painCave.errMsg, |
428 |
> |
"Atom %d not found on processor %d\n", |
429 |
> |
i, worldRank ); |
430 |
> |
haveError= 1; |
431 |
> |
simError(); |
432 |
|
} |
323 |
– |
else{ |
324 |
– |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
325 |
– |
} |
326 |
– |
} |
327 |
– |
else { |
328 |
– |
sprintf(painCave.errMsg, |
329 |
– |
"Atom %d not found on processor %d\n", |
330 |
– |
which_atom, worldRank ); |
331 |
– |
myStatus = 0; |
332 |
– |
simError(); |
433 |
|
|
434 |
< |
strcpy( writeLine, "Hello, I'm an error.\n"); |
335 |
< |
} |
434 |
> |
strncpy(MPIatomTypeString, atomTypeString, MINIBUFFERSIZE); |
435 |
|
|
436 |
< |
MPI_Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
437 |
< |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD); |
339 |
< |
MPI_Send( &myStatus, 1, MPI_INT, 0, |
340 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
341 |
< |
} |
342 |
< |
} |
343 |
< |
outFile.flush(); |
344 |
< |
sprintf( checkPointMsg, |
345 |
< |
"Sucessfully took a dump.\n"); |
346 |
< |
MPIcheckPoint(); |
436 |
> |
// null terminate the string before sending (just in case): |
437 |
> |
MPIatomTypeString[MINIBUFFERSIZE-1] = '\0'; |
438 |
|
|
439 |
< |
// last thing last, enable fatalities. |
440 |
< |
painCave.isEventLoop = 0; |
439 |
> |
MPI_Send(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0, |
440 |
> |
myPotato, MPI_COMM_WORLD); |
441 |
> |
|
442 |
> |
myPotato++; |
443 |
|
|
444 |
+ |
MPI_Send(&isDirectional, 1, MPI_INT, 0, |
445 |
+ |
myPotato, MPI_COMM_WORLD); |
446 |
+ |
|
447 |
+ |
myPotato++; |
448 |
+ |
|
449 |
+ |
if (isDirectional) { |
450 |
+ |
|
451 |
+ |
MPI_Send(atomData13, 13, MPI_DOUBLE, 0, |
452 |
+ |
myPotato, MPI_COMM_WORLD); |
453 |
+ |
|
454 |
+ |
} else { |
455 |
+ |
|
456 |
+ |
MPI_Send(atomData6, 6, MPI_DOUBLE, 0, |
457 |
+ |
myPotato, MPI_COMM_WORLD); |
458 |
+ |
} |
459 |
+ |
|
460 |
+ |
myPotato++; |
461 |
+ |
} |
462 |
+ |
} |
463 |
+ |
|
464 |
+ |
sprintf( checkPointMsg, |
465 |
+ |
"Sucessfully took a dump.\n"); |
466 |
+ |
MPIcheckPoint(); |
467 |
+ |
|
468 |
+ |
} |
469 |
+ |
|
470 |
|
#endif // is_mpi |
471 |
|
} |
472 |
|
|
476 |
|
ofstream finalOut; |
477 |
|
|
478 |
|
const int BUFFERSIZE = 2000; |
479 |
+ |
const int MINIBUFFERSIZE = 100; |
480 |
|
char tempBuffer[BUFFERSIZE]; |
481 |
|
char writeLine[BUFFERSIZE]; |
482 |
|
|
485 |
|
Atom** atoms = entry_plug->atoms; |
486 |
|
int i; |
487 |
|
#ifdef IS_MPI |
488 |
+ |
|
489 |
+ |
int *potatoes; |
490 |
+ |
int myPotato; |
491 |
+ |
|
492 |
+ |
int nProc; |
493 |
|
int j, which_node, done, which_atom, local_index; |
494 |
+ |
double atomData6[6]; |
495 |
+ |
double atomData13[13]; |
496 |
+ |
int isDirectional; |
497 |
+ |
char* atomTypeString; |
498 |
+ |
char MPIatomTypeString[MINIBUFFERSIZE]; |
499 |
+ |
|
500 |
|
#else //is_mpi |
501 |
|
int nAtoms = entry_plug->n_atoms; |
502 |
|
#endif //is_mpi |
592 |
|
|
593 |
|
#else // is_mpi |
594 |
|
|
595 |
< |
// first thing first, suspend fatalities. |
596 |
< |
painCave.isEventLoop = 1; |
595 |
> |
/* code to find maximum tag value */ |
596 |
> |
int *tagub, flag, MAXTAG; |
597 |
> |
MPI_Attr_get(MPI_COMM_WORLD, MPI_TAG_UB, &tagub, &flag); |
598 |
> |
if (flag) { |
599 |
> |
MAXTAG = *tagub; |
600 |
> |
} else { |
601 |
> |
MAXTAG = 32767; |
602 |
> |
} |
603 |
|
|
467 |
– |
int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone |
604 |
|
int haveError; |
605 |
|
|
606 |
|
MPI_Status istatus; |
608 |
|
|
609 |
|
// write out header and node 0's coordinates |
610 |
|
|
475 |
– |
haveError = 0; |
611 |
|
if( worldRank == 0 ){ |
612 |
+ |
|
613 |
+ |
// Node 0 needs a list of the magic potatoes for each processor; |
614 |
+ |
|
615 |
+ |
nProc = mpiSim->getNumberProcessors(); |
616 |
+ |
potatoes = new int[nProc]; |
617 |
+ |
|
618 |
+ |
for (i = 0; i < nProc; i++) |
619 |
+ |
potatoes[i] = 0; |
620 |
+ |
|
621 |
|
finalOut << mpiSim->getTotAtoms() << "\n"; |
622 |
|
|
623 |
|
finalOut << finalTime << ";\t" |
624 |
< |
<< entry_plug->Hmat[0][0] << "\t" |
625 |
< |
<< entry_plug->Hmat[1][0] << "\t" |
626 |
< |
<< entry_plug->Hmat[2][0] << ";\t" |
624 |
> |
<< entry_plug->Hmat[0][0] << "\t" |
625 |
> |
<< entry_plug->Hmat[1][0] << "\t" |
626 |
> |
<< entry_plug->Hmat[2][0] << ";\t" |
627 |
|
|
628 |
< |
<< entry_plug->Hmat[0][1] << "\t" |
629 |
< |
<< entry_plug->Hmat[1][1] << "\t" |
630 |
< |
<< entry_plug->Hmat[2][1] << ";\t" |
628 |
> |
<< entry_plug->Hmat[0][1] << "\t" |
629 |
> |
<< entry_plug->Hmat[1][1] << "\t" |
630 |
> |
<< entry_plug->Hmat[2][1] << ";\t" |
631 |
|
|
632 |
< |
<< entry_plug->Hmat[0][2] << "\t" |
633 |
< |
<< entry_plug->Hmat[1][2] << "\t" |
634 |
< |
<< entry_plug->Hmat[2][2] << ";"; |
632 |
> |
<< entry_plug->Hmat[0][2] << "\t" |
633 |
> |
<< entry_plug->Hmat[1][2] << "\t" |
634 |
> |
<< entry_plug->Hmat[2][2] << ";"; |
635 |
|
|
492 |
– |
//write out additional parameters, such as chi and eta |
636 |
|
finalOut << entry_plug->the_integrator->getAdditionalParameters(); |
637 |
|
finalOut << endl; |
638 |
+ |
finalOut.flush(); |
639 |
|
|
640 |
|
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
641 |
< |
// Get the Node number which has this molecule: |
642 |
< |
|
641 |
> |
|
642 |
> |
// Get the Node number which has this atom; |
643 |
> |
|
644 |
|
which_node = AtomToProcMap[i]; |
645 |
+ |
|
646 |
+ |
if (which_node != 0) { |
647 |
|
|
648 |
< |
if (which_node == mpiSim->getMyNode()) { |
648 |
> |
if (potatoes[which_node] + 3 >= MAXTAG) { |
649 |
> |
// The potato was going to exceed the maximum value, |
650 |
> |
// so wrap this processor potato back to 0: |
651 |
|
|
652 |
+ |
potatoes[which_node] = 0; |
653 |
+ |
MPI_Send(0, 1, MPI_INT, which_node, 0, MPI_COMM_WORLD); |
654 |
+ |
|
655 |
+ |
} |
656 |
+ |
|
657 |
+ |
myPotato = potatoes[which_node]; |
658 |
+ |
|
659 |
+ |
MPI_Recv(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node, |
660 |
+ |
myPotato, MPI_COMM_WORLD, &istatus); |
661 |
+ |
|
662 |
+ |
strncpy(atomTypeString, MPIatomTypeString, MINIBUFFERSIZE); |
663 |
+ |
|
664 |
+ |
// Null terminate the atomTypeString just in case: |
665 |
+ |
|
666 |
+ |
atomTypeString[strlen(atomTypeString) - 1] = '\0'; |
667 |
+ |
|
668 |
+ |
myPotato++; |
669 |
+ |
|
670 |
+ |
MPI_Recv(&isDirectional, 1, MPI_INT, which_node, |
671 |
+ |
myPotato, MPI_COMM_WORLD, &istatus); |
672 |
+ |
|
673 |
+ |
myPotato++; |
674 |
+ |
|
675 |
+ |
if (isDirectional) { |
676 |
+ |
MPI_Recv(atomData13, 13, MPI_DOUBLE, which_node, |
677 |
+ |
myPotato, MPI_COMM_WORLD, &istatus); |
678 |
+ |
} else { |
679 |
+ |
MPI_Recv(atomData6, 6, MPI_DOUBLE, which_node, |
680 |
+ |
myPotato, MPI_COMM_WORLD, &istatus); |
681 |
+ |
} |
682 |
+ |
|
683 |
+ |
myPotato++; |
684 |
+ |
potatoes[which_node] = myPotato; |
685 |
+ |
|
686 |
+ |
} else { |
687 |
+ |
|
688 |
+ |
haveError = 0; |
689 |
|
which_atom = i; |
690 |
|
local_index=-1; |
691 |
+ |
|
692 |
|
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
693 |
|
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
694 |
|
} |
695 |
+ |
|
696 |
|
if (local_index != -1) { |
697 |
+ |
|
698 |
+ |
atomTypeString = atoms[local_index]->getType(); |
699 |
|
|
700 |
|
atoms[local_index]->getPos(pos); |
701 |
< |
atoms[local_index]->getVel(vel); |
701 |
> |
atoms[local_index]->getVel(vel); |
702 |
|
|
703 |
< |
sprintf( tempBuffer, |
704 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
705 |
< |
atoms[local_index]->getType(), |
516 |
< |
pos[0], |
517 |
< |
pos[1], |
518 |
< |
pos[2], |
519 |
< |
vel[0], |
520 |
< |
vel[1], |
521 |
< |
vel[2]); |
522 |
< |
strcpy( writeLine, tempBuffer ); |
703 |
> |
atomData6[0] = pos[0]; |
704 |
> |
atomData6[1] = pos[1]; |
705 |
> |
atomData6[2] = pos[2]; |
706 |
|
|
707 |
< |
if( atoms[local_index]->isDirectional() ){ |
707 |
> |
atomData6[3] = vel[0]; |
708 |
> |
atomData6[4] = vel[1]; |
709 |
> |
atomData6[5] = vel[2]; |
710 |
> |
|
711 |
> |
isDirectional = 0; |
712 |
|
|
713 |
< |
dAtom = (DirectionalAtom *)atoms[local_index]; |
527 |
< |
dAtom->getQ( q ); |
713 |
> |
if( atoms[local_index]->isDirectional() ){ |
714 |
|
|
715 |
< |
sprintf( tempBuffer, |
716 |
< |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
717 |
< |
q[0], |
718 |
< |
q[1], |
719 |
< |
q[2], |
720 |
< |
q[3], |
721 |
< |
dAtom->getJx(), |
722 |
< |
dAtom->getJy(), |
723 |
< |
dAtom->getJz()); |
724 |
< |
strcat( writeLine, tempBuffer ); |
725 |
< |
} |
726 |
< |
else |
727 |
< |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
728 |
< |
} |
729 |
< |
else { |
715 |
> |
isDirectional = 1; |
716 |
> |
|
717 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
718 |
> |
dAtom->getQ( q ); |
719 |
> |
|
720 |
> |
for (int j = 0; j < 6 ; j++) |
721 |
> |
atomData13[j] = atomData6[j]; |
722 |
> |
|
723 |
> |
atomData13[6] = q[0]; |
724 |
> |
atomData13[7] = q[1]; |
725 |
> |
atomData13[8] = q[2]; |
726 |
> |
atomData13[9] = q[3]; |
727 |
> |
|
728 |
> |
atomData13[10] = dAtom->getJx(); |
729 |
> |
atomData13[11] = dAtom->getJy(); |
730 |
> |
atomData13[12] = dAtom->getJz(); |
731 |
> |
} |
732 |
> |
|
733 |
> |
} else { |
734 |
|
sprintf(painCave.errMsg, |
735 |
|
"Atom %d not found on processor %d\n", |
736 |
|
i, worldRank ); |
737 |
|
haveError= 1; |
738 |
|
simError(); |
739 |
|
} |
740 |
+ |
|
741 |
+ |
if(haveError) DieDieDie(); |
742 |
+ |
|
743 |
+ |
// If we've survived to here, format the line: |
744 |
+ |
|
745 |
+ |
if (!isDirectional) { |
746 |
|
|
747 |
< |
if(haveError) nodeZeroError(); |
747 |
> |
sprintf( tempBuffer, |
748 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
749 |
> |
atomTypeString, |
750 |
> |
atomData6[0], |
751 |
> |
atomData6[1], |
752 |
> |
atomData6[2], |
753 |
> |
atomData6[3], |
754 |
> |
atomData6[4], |
755 |
> |
atomData6[5]); |
756 |
> |
|
757 |
> |
strcpy( writeLine, tempBuffer ); |
758 |
> |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
759 |
|
|
760 |
+ |
} else { |
761 |
+ |
|
762 |
+ |
sprintf( tempBuffer, |
763 |
+ |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
764 |
+ |
atomTypeString, |
765 |
+ |
atomData13[0], |
766 |
+ |
atomData13[1], |
767 |
+ |
atomData13[2], |
768 |
+ |
atomData13[3], |
769 |
+ |
atomData13[4], |
770 |
+ |
atomData13[5], |
771 |
+ |
atomData13[6], |
772 |
+ |
atomData13[7], |
773 |
+ |
atomData13[8], |
774 |
+ |
atomData13[9], |
775 |
+ |
atomData13[10], |
776 |
+ |
atomData13[11], |
777 |
+ |
atomData13[12]); |
778 |
+ |
|
779 |
+ |
strcat( writeLine, tempBuffer ); |
780 |
+ |
|
781 |
+ |
} |
782 |
+ |
|
783 |
+ |
finalOut << writeLine; |
784 |
+ |
finalOut.flush(); |
785 |
|
} |
786 |
< |
else { |
786 |
> |
} |
787 |
|
|
788 |
< |
myStatus = 1; |
789 |
< |
MPI_Send(&myStatus, 1, MPI_INT, which_node, |
790 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
791 |
< |
MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT, |
792 |
< |
MPI_COMM_WORLD); |
793 |
< |
MPI_Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
562 |
< |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus); |
563 |
< |
MPI_Recv(&myStatus, 1, MPI_INT, which_node, |
564 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
788 |
> |
finalOut.flush(); |
789 |
> |
sprintf( checkPointMsg, |
790 |
> |
"Sucessfully took a dump.\n"); |
791 |
> |
MPIcheckPoint(); |
792 |
> |
|
793 |
> |
} else { |
794 |
|
|
795 |
< |
if(!myStatus) nodeZeroError(); |
567 |
< |
} |
795 |
> |
// worldRank != 0, so I'm a remote node. |
796 |
|
|
797 |
< |
finalOut << writeLine; |
570 |
< |
} |
797 |
> |
// Set my magic potato to 0: |
798 |
|
|
799 |
< |
// kill everyone off: |
800 |
< |
myStatus = -1; |
801 |
< |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
802 |
< |
MPI_Send(&myStatus, 1, MPI_INT, j, |
803 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
804 |
< |
} |
799 |
> |
myPotato = 0; |
800 |
> |
|
801 |
> |
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
802 |
> |
|
803 |
> |
// Am I the node which has this atom? |
804 |
> |
|
805 |
> |
if (AtomToProcMap[i] == worldRank) { |
806 |
|
|
807 |
< |
} else { |
807 |
> |
if (myPotato + 3 >= MAXTAG) { |
808 |
|
|
809 |
< |
done = 0; |
810 |
< |
while (!done) { |
809 |
> |
// The potato was going to exceed the maximum value, |
810 |
> |
// so wrap this processor potato back to 0 (and block until |
811 |
> |
// node 0 says we can go: |
812 |
|
|
813 |
< |
MPI_Recv(&myStatus, 1, MPI_INT, 0, |
814 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
813 |
> |
MPI_Recv(&myPotato, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &istatus); |
814 |
> |
|
815 |
> |
} |
816 |
|
|
817 |
< |
if(!myStatus) anonymousNodeDie(); |
817 |
> |
local_index=-1; |
818 |
> |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
819 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
820 |
> |
} |
821 |
> |
if (local_index != -1) { |
822 |
> |
|
823 |
> |
atomTypeString = atoms[local_index]->getType(); |
824 |
|
|
825 |
< |
if(myStatus < 0) break; |
825 |
> |
atoms[local_index]->getPos(pos); |
826 |
> |
atoms[local_index]->getVel(vel); |
827 |
|
|
828 |
< |
MPI_Recv(&which_atom, 1, MPI_INT, 0, |
829 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
828 |
> |
atomData6[0] = pos[0]; |
829 |
> |
atomData6[1] = pos[1]; |
830 |
> |
atomData6[2] = pos[2]; |
831 |
|
|
832 |
< |
myStatus = 1; |
833 |
< |
local_index=-1; |
834 |
< |
for (j=0; j < mpiSim->getMyNlocal(); j++) { |
835 |
< |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
836 |
< |
} |
599 |
< |
if (local_index != -1) { |
832 |
> |
atomData6[3] = vel[0]; |
833 |
> |
atomData6[4] = vel[1]; |
834 |
> |
atomData6[5] = vel[2]; |
835 |
> |
|
836 |
> |
isDirectional = 0; |
837 |
|
|
838 |
< |
atoms[local_index]->getPos(pos); |
602 |
< |
atoms[local_index]->getVel(vel); |
838 |
> |
if( atoms[local_index]->isDirectional() ){ |
839 |
|
|
840 |
< |
//format the line |
841 |
< |
sprintf( tempBuffer, |
842 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
843 |
< |
atoms[local_index]->getType(), |
844 |
< |
pos[0], |
845 |
< |
pos[1], |
846 |
< |
pos[2], |
847 |
< |
vel[0], |
848 |
< |
vel[1], |
849 |
< |
vel[2]); // check here. |
850 |
< |
strcpy( writeLine, tempBuffer ); |
840 |
> |
isDirectional = 1; |
841 |
> |
|
842 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
843 |
> |
dAtom->getQ( q ); |
844 |
> |
|
845 |
> |
for (int j = 0; j < 6 ; j++) |
846 |
> |
atomData13[j] = atomData6[j]; |
847 |
> |
|
848 |
> |
atomData13[6] = q[0]; |
849 |
> |
atomData13[7] = q[1]; |
850 |
> |
atomData13[8] = q[2]; |
851 |
> |
atomData13[9] = q[3]; |
852 |
|
|
853 |
< |
if( atoms[local_index]->isDirectional() ){ |
853 |
> |
atomData13[10] = dAtom->getJx(); |
854 |
> |
atomData13[11] = dAtom->getJy(); |
855 |
> |
atomData13[12] = dAtom->getJz(); |
856 |
> |
} |
857 |
|
|
858 |
< |
dAtom = (DirectionalAtom *)atoms[local_index]; |
859 |
< |
dAtom->getQ( q ); |
860 |
< |
|
861 |
< |
sprintf( tempBuffer, |
862 |
< |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
863 |
< |
q[0], |
624 |
< |
q[1], |
625 |
< |
q[2], |
626 |
< |
q[3], |
627 |
< |
dAtom->getJx(), |
628 |
< |
dAtom->getJy(), |
629 |
< |
dAtom->getJz()); |
630 |
< |
strcat( writeLine, tempBuffer ); |
858 |
> |
} else { |
859 |
> |
sprintf(painCave.errMsg, |
860 |
> |
"Atom %d not found on processor %d\n", |
861 |
> |
i, worldRank ); |
862 |
> |
haveError= 1; |
863 |
> |
simError(); |
864 |
|
} |
632 |
– |
else{ |
633 |
– |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
634 |
– |
} |
635 |
– |
} |
636 |
– |
else { |
637 |
– |
sprintf(painCave.errMsg, |
638 |
– |
"Atom %d not found on processor %d\n", |
639 |
– |
which_atom, worldRank ); |
640 |
– |
myStatus = 0; |
641 |
– |
simError(); |
865 |
|
|
866 |
< |
strcpy( writeLine, "Hello, I'm an error.\n"); |
644 |
< |
} |
866 |
> |
strncpy(MPIatomTypeString, atomTypeString, MINIBUFFERSIZE); |
867 |
|
|
868 |
< |
MPI_Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
869 |
< |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD); |
870 |
< |
MPI_Send( &myStatus, 1, MPI_INT, 0, |
871 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
868 |
> |
// null terminate the string before sending (just in case): |
869 |
> |
MPIatomTypeString[MINIBUFFERSIZE-1] = '\0'; |
870 |
> |
|
871 |
> |
MPI_Send(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0, |
872 |
> |
myPotato, MPI_COMM_WORLD); |
873 |
> |
|
874 |
> |
myPotato++; |
875 |
> |
|
876 |
> |
MPI_Send(&isDirectional, 1, MPI_INT, 0, |
877 |
> |
myPotato, MPI_COMM_WORLD); |
878 |
> |
|
879 |
> |
myPotato++; |
880 |
> |
|
881 |
> |
if (isDirectional) { |
882 |
> |
|
883 |
> |
MPI_Send(atomData13, 13, MPI_DOUBLE, 0, |
884 |
> |
myPotato, MPI_COMM_WORLD); |
885 |
> |
|
886 |
> |
} else { |
887 |
> |
|
888 |
> |
MPI_Send(atomData6, 6, MPI_DOUBLE, 0, |
889 |
> |
myPotato, MPI_COMM_WORLD); |
890 |
> |
} |
891 |
> |
|
892 |
> |
myPotato++; |
893 |
> |
} |
894 |
|
} |
651 |
– |
} |
652 |
– |
finalOut.flush(); |
653 |
– |
sprintf( checkPointMsg, |
654 |
– |
"Sucessfully took a dump.\n"); |
655 |
– |
MPIcheckPoint(); |
895 |
|
|
896 |
+ |
sprintf( checkPointMsg, |
897 |
+ |
"Sucessfully took a dump.\n"); |
898 |
+ |
MPIcheckPoint(); |
899 |
+ |
|
900 |
+ |
} |
901 |
+ |
|
902 |
|
if( worldRank == 0 ) finalOut.close(); |
903 |
|
#endif // is_mpi |
904 |
|
} |
909 |
|
|
910 |
|
// a couple of functions to let us escape the write loop |
911 |
|
|
912 |
< |
void dWrite::nodeZeroError( void ){ |
668 |
< |
int j, myStatus; |
912 |
> |
void dWrite::DieDieDie( void ){ |
913 |
|
|
670 |
– |
myStatus = 0; |
671 |
– |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
672 |
– |
MPI_Send( &myStatus, 1, MPI_INT, j, |
673 |
– |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
674 |
– |
} |
675 |
– |
|
676 |
– |
|
914 |
|
MPI_Finalize(); |
915 |
|
exit (0); |
679 |
– |
|
916 |
|
} |
917 |
|
|
682 |
– |
void dWrite::anonymousNodeDie( void ){ |
683 |
– |
|
684 |
– |
MPI_Finalize(); |
685 |
– |
exit (0); |
686 |
– |
} |
687 |
– |
|
918 |
|
#endif //is_mpi |