# | Line 11 | Line 11 | |
---|---|---|
11 | #include "ReadWrite.hpp" | |
12 | #include "simError.h" | |
13 | ||
14 | + | #ifdef IS_MPI |
15 | + | #include "mpiSimulation.hpp" |
16 | + | #endif // is_mpi |
17 | ||
18 | InitializeFromFile :: InitializeFromFile( char *in_name ){ | |
19 | #ifdef IS_MPI | |
# | Line 158 | Line 161 | void InitializeFromFile :: read_xyz( SimInfo* the_entr | |
161 | // Check to see that the number of atoms in the intial configuration file is the | |
162 | // same as declared in simBass. | |
163 | ||
164 | < | if( n_atoms != entry_plug->mpiSim->getTotAtoms() ){ |
164 | > | if( n_atoms != mpiSim->getTotAtoms() ){ |
165 | sprintf( painCave.errMsg, | |
166 | "Initialize from File error. %s n_atoms, %d, " | |
167 | "does not match the BASS file's n_atoms, %d.\n", | |
# | Line 179 | Line 182 | void InitializeFromFile :: read_xyz( SimInfo* the_entr | |
182 | ||
183 | // Read Proc 0 share of the xyz file... | |
184 | masterIndex = 0; | |
185 | < | for( i=0; i <= entry_plug->mpiSim->getMyAtomEnd(); i++){ |
185 | > | for( i=0; i <= mpiSim->getMyAtomEnd(); i++){ |
186 | ||
187 | eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file); | |
188 | if(eof_test == NULL){ | |
# | Line 257 | Line 260 | void InitializeFromFile :: read_xyz( SimInfo* the_entr | |
260 | ||
261 | ||
262 | else if(worldRank == procIndex){ | |
263 | < | nodeAtomStart = entry_plug->mpiSim->getMyAtomStart(); |
264 | < | nodeAtomEnd = entry_plug->mpiSim->getMyAtomEnd(); |
263 | > | nodeAtomStart = mpiSim->getMyAtomStart(); |
264 | > | nodeAtomEnd = mpiSim->getMyAtomEnd(); |
265 | mpiErr = MPI_Send(&nodeAtomsStart,1,MPI_INT,0,MPI_ANY_TAG,MPI_COMM_WORLD); | |
266 | mpiErr = MPI_Send(&nodeAtomsEnd,1,MPI_INT,0,MPI_ANY_TAG,MPI_COMM_WORLD); | |
267 | ||
# | Line 311 | Line 314 | char* IntitializeFromFile::parseDumpLine(char* readLin | |
314 | int n_atoms; | |
315 | ||
316 | #ifdef IS_MPI | |
317 | < | n_atoms = entry_plug->mpiSim->getTotAtoms(); |
317 | > | n_atoms = mpiSim->getTotAtoms(); |
318 | #else | |
319 | n_atoms = entry_plug->n_atoms; | |
320 | #endi // is_mpi |
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