72 |
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73 |
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void InitializeFromFile :: readInit( SimInfo* the_simnfo ){ |
74 |
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|
75 |
< |
int i, j, done, which_node, which_atom; // loop counter |
75 |
> |
int i, j; |
76 |
> |
|
77 |
> |
#ifdef IS_MPI |
78 |
> |
int done, which_node, which_atom; // loop counter |
79 |
> |
#endif //is_mpi |
80 |
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81 |
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const int BUFFERSIZE = 2000; // size of the read buffer |
82 |
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int n_atoms; // the number of atoms |
83 |
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char read_buffer[BUFFERSIZE]; //the line buffer for reading |
80 |
– |
#ifdef IS_MPI |
81 |
– |
char send_buffer[BUFFERSIZE]; |
82 |
– |
#endif |
84 |
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|
85 |
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char *eof_test; // ptr to see when we reach the end of the file |
86 |
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char *parseErr; |
87 |
< |
int procIndex; |
87 |
> |
|
88 |
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double currTime; |
89 |
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double boxMat[9]; |
90 |
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double theBoxMat3[3][3]; |
103 |
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} |
104 |
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105 |
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n_atoms = atoi( read_buffer ); |
105 |
– |
|
106 |
– |
Atom **atoms = simnfo->atoms; |
107 |
– |
DirectionalAtom* dAtom; |
106 |
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|
107 |
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if( n_atoms != simnfo->n_atoms ){ |
108 |
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sprintf( painCave.errMsg, |
179 |
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eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file); |
180 |
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if( eof_test == NULL ){ |
181 |
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sprintf( painCave.errMsg, |
182 |
< |
"Error reading 1st line of %d \n ",c_in_name); |
182 |
> |
"Error reading 1st line of %s \n ",c_in_name); |
183 |
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haveError = 1; |
184 |
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simError(); |
185 |
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} |
186 |
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187 |
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n_atoms = atoi( read_buffer ); |
188 |
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|
191 |
– |
Atom **atoms = simnfo->atoms; |
192 |
– |
DirectionalAtom* dAtom; |
193 |
– |
|
189 |
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// Check to see that the number of atoms in the intial configuration file is the |
190 |
|
// same as declared in simBass. |
191 |
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|
328 |
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Atom **atoms = simnfo->atoms; |
329 |
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DirectionalAtom* dAtom; |
330 |
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|
331 |
< |
int j, n_atoms, atomIndex; |
331 |
> |
int n_atoms, atomIndex; |
332 |
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|
333 |
|
#ifdef IS_MPI |
334 |
+ |
int j; |
335 |
+ |
|
336 |
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n_atoms = mpiSim->getTotAtoms(); |
337 |
|
atomIndex=-1; |
338 |
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for (j=0; j < mpiSim->getMyNlocal(); j++) { |
541 |
|
double &time ){ |
542 |
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|
543 |
|
char *foo; // the pointer to the current string token |
547 |
– |
int j; |
544 |
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|
545 |
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// set the string tokenizer |
546 |
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