/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/peigs/example/ |
H A D | tsterr.c | 107 mapZ[n-1] = mapZ[n-2]; in main1_() 278 free(mapZ); in main1_() 547 mapZ[0] = -1; 552 mapZ[0] = 0; 627 mapZ[0] = 1; 630 mapZ[1] = 0; 637 mapZ[0] = 0; 1105 mapZ[0] = -1; 1111 mapZ[0] = 0; 1618 mapZ[0] = 0; [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/peigs/example/ |
H A D | tsterr.c | 107 mapZ[n-1] = mapZ[n-2]; in main1_() 278 free(mapZ); in main1_() 547 mapZ[0] = -1; 552 mapZ[0] = 0; 627 mapZ[0] = 1; 630 mapZ[1] = 0; 637 mapZ[0] = 0; 1105 mapZ[0] = -1; 1111 mapZ[0] = 0; 1618 mapZ[0] = 0; [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/peigs/src/c/ |
H A D | clustrxx99.c | 158 if( me == mapZ[0] ){ 165 j,c1,cn, mapZ[c1], mapZ[cn] ); 173 if( me == mapZ[0] ){ 180 j,c1,cn, mapZ[c1], mapZ[cn] ); 241 if( mapZ[c1] == me ) { 243 if ( mapZ[j] != me ) { 246 send_to = mapZ[j]; 253 if ( mapZ[j] != mapZ[c1] ) { 317 if ( mapZ[j] != mapZ[c1] ) { 318 iscratch[ mapZ[j] ] = mapZ[c1]; [all …]
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H A D | clustrxx31.c | 158 if( me == mapZ[0] ){ 165 j,c1,cn, mapZ[c1], mapZ[cn] ); 173 if( me == mapZ[0] ){ 180 j,c1,cn, mapZ[c1], mapZ[cn] ); 241 if( mapZ[c1] == me ) { 243 if ( mapZ[j] != me ) { 246 send_to = mapZ[j]; 253 if ( mapZ[j] != mapZ[c1] ) { 317 if ( mapZ[j] != mapZ[c1] ) { 318 iscratch[ mapZ[j] ] = mapZ[c1]; [all …]
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H A D | clustrxx30.c | 159 if( me == mapZ[0] ){ 166 j,c1,cn, mapZ[c1], mapZ[cn] ); 174 if( me == mapZ[0] ){ 181 j,c1,cn, mapZ[c1], mapZ[cn] ); 242 if( mapZ[c1] == me ) { 247 send_to = mapZ[j]; 255 if ( mapZ[j] != mapZ[c1] ) { 319 if ( mapZ[j] != mapZ[c1] ) { 320 iscratch[ mapZ[j] ] = mapZ[c1]; 429 if ( mapZ[j] == me ) { [all …]
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H A D | clustrxx3.c | 152 if( me == mapZ[0] ){ 160 j,c1,cn, mapZ[c1], mapZ[cn] ); 173 if( me == mapZ[0] ){ 180 j,c1,cn, mapZ[c1], mapZ[cn] ); 241 if( mapZ[c1] == me ) { 246 send_to = mapZ[j]; 254 if ( mapZ[j] != mapZ[c1] ) { 318 if ( mapZ[j] != mapZ[c1] ) { 319 iscratch[ mapZ[j] ] = mapZ[c1]; 428 if ( mapZ[j] == me ) { [all …]
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H A D | clustrxx33.c | 152 if( me == mapZ[0] ){ 160 j,c1,cn, mapZ[c1], mapZ[cn] ); 173 if( me == mapZ[0] ){ 180 j,c1,cn, mapZ[c1], mapZ[cn] ); 241 if( mapZ[c1] == me ) { 246 send_to = mapZ[j]; 254 if ( mapZ[j] != mapZ[c1] ) { 318 if ( mapZ[j] != mapZ[c1] ) { 319 iscratch[ mapZ[j] ] = mapZ[c1]; 428 if ( mapZ[j] == me ) { [all …]
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H A D | pdsptri.c | 50 meigval, vecZ, mapZ, eval, iscratch, iscsize, in pdsptri() argument 327 else if ( mapZ == NULL ) 373 memreq_( &itmp, n, mapZ, mapZ, mapZ, &i, &j, &k, i_scrat ); 396 if ( mapZ[ k ] < 0 || mapZ[ k ] > nproc - 1 ) 401 nvecsZ = count_list( me, mapZ, &msize ); 430 nn_proc = reduce_list2( *n, mapZ, proclist); 510 mapZ_0 = *mapZ; 556 nvecsZ2 = count_list( me, mapZ, meigval ); 564 mapZ, vecZ, d_scrat, i_scrat, iptr, info); 594 mdiff1_( &nZ2, &mapZ[neigval], meigval, mapZ, i_scrat, &num_procs ); [all …]
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H A D | pdsptri2.c | 50 meigval, vecZ, mapZ, eval, iscratch, iscsize, in pdsptri2() argument 328 else if ( mapZ == NULL ) 374 memreq_( &itmp, n, mapZ, mapZ, mapZ, &i, &j, &k, i_scrat ); 397 if ( mapZ[ k ] < 0 || mapZ[ k ] > nproc - 1 ) 402 nvecsZ = count_list( me, mapZ, &msize ); 431 nn_proc = reduce_list2( *n, mapZ, proclist); 511 mapZ_0 = *mapZ; 556 nvecsZ2 = count_list( me, mapZ, meigval ); 564 mapZ, vecZ, d_scrat, i_scrat, iptr, info); 594 mdiff1_( &nZ2, &mapZ[neigval], meigval, mapZ, i_scrat, &num_procs ); [all …]
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H A D | clustrxx5.c | 216 if( mapZ[c1] == me ) { 218 if ( mapZ[j] != me ) { 221 send_to = mapZ[j]; 229 if ( mapZ[j] != mapZ[c1] ) { 230 if ( mapZ[j] == me ) { 233 recv_from = mapZ[c1]; 294 if ( mapZ[j] != mapZ[c1] ) { 295 iscratch[ mapZ[j] ] = mapZ[c1]; 314 if ( mapZ[i] == me ) 413 if ( mapZ[j] == me ) { [all …]
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H A D | b_ortho.c | 42 void b_ortho ( n, colB, mapB, m, colZ, mapZ, ibuffptr, iwork, work, ort, info) in b_ortho() argument 43 Integer *n, *mapB, *m, *mapZ, *iwork, *info; in b_ortho() 202 nvecsZ = fil_mapvec_( &me, m, mapZ, mapvecZ ); 237 mxm88( &ll, colB, mapB, m, vecZ1, mapZ, iscrat, scrat, vecZ1 + 2*nvecsZ + 1); 243 mxm25( m, &ll, colZ, mapZ, m, vecZ1, mapZ, vecZ2, iscrat, scrat); 251 mat_max ( m, m, vecZ2, mapZ, ort, iscrat, scrat); 256 mdiff1_( n, mapB, m, mapZ, iscrat, &nprocs ); 259 iscrat[nprocs] = mapZ[0]; 261 bbcast00( (char *) ort, sizeof(DoublePrecision), 1, mapZ[0], nprocs, iscrat );
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H A D | pstein3.c | 45 mapZ, vecZ, ddwork, iiwork, ppiwork, info ) in pstein() argument 47 Integer *n, *meigval, *iblock, *nsplit, *isplit, *mapZ, in pstein() 210 else if ( mapZ == NULL ) 275 if ( mapZ[ k ] < 0 || mapZ[ k ] > nproc - 1 ) 284 nvecsZ = count_list( me, mapZ, meigval ); 312 reduce_maps( *meigval, mapZ, 0, mapZ, 0, mapZ, &nn_proc, proclist ); 395 nn_proc = reduce_list2( neigval, mapZ, iwork ); 446 nvecsZ = fil_mapvec_( &me, &neigval, mapZ, mapvZ ); 481 ibad = clustrinv_( &msize, dd, ee, ptbeval, clustr_info, &numclstr, mapZ, 514 tresid( n, meigval, dd, ee, vecZ, mapZ, eval, iiwork, ddwork, &res, &linfo); [all …]
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H A D | pdcomplex.c | 43 void pdcomplex(n, vecZ, mapZ, eval, scratch, iscratch, info) in pdcomplex() argument 44 Integer *n, *mapZ, *iscratch, *info; in pdcomplex() 127 nvecsZ = count_list( me, mapZ, &msize ); 155 reduce_maps( msize, mapZ, *n, mapZ, 0, mapZ, &nn_proc, proclist ); 183 if ( mapZ[k] == me ){ 189 k, mapZ[k], nn_proc, proclist); 200 if ( mapZ[jjj] == me ){ 222 if ( mapZ[l_good] == me ) {
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H A D | resid.c | 42 void resid( n, colA, mapA, m, colZ, mapZ, eval, ibuffptr, iwork, work, res, info) in resid() argument 43 Integer *n, *mapA, *m, *mapZ, *iwork, *info; in resid() 169 nvecsZ = count_list( me, mapZ, m ); 175 nprocs = reduce_list2( *m, mapZ, proclist ); 202 mxm88( &ll, colA, mapA, m, vecZ1, mapZ, iscrat, scrat, dbuffptr); 206 if ( mapZ[i] == me ) { 230 mdiff1_( m, mapZ, n, mapA, iscrat, &nprocs ); 247 mdiff1_( n, mapA, m, mapZ, iscrat, &nprocs ); 250 iscrat[nprocs] = mapZ[0]; 252 bbcast00( (char *) res, sizeof(DoublePrecision), 3, mapZ[0], nprocs, iscrat );
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/peigs/src/c/ |
H A D | clustrxx99.c | 158 if( me == mapZ[0] ){ 165 j,c1,cn, mapZ[c1], mapZ[cn] ); 173 if( me == mapZ[0] ){ 180 j,c1,cn, mapZ[c1], mapZ[cn] ); 241 if( mapZ[c1] == me ) { 243 if ( mapZ[j] != me ) { 246 send_to = mapZ[j]; 253 if ( mapZ[j] != mapZ[c1] ) { 317 if ( mapZ[j] != mapZ[c1] ) { 318 iscratch[ mapZ[j] ] = mapZ[c1]; [all …]
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H A D | clustrxx31.c | 158 if( me == mapZ[0] ){ 165 j,c1,cn, mapZ[c1], mapZ[cn] ); 173 if( me == mapZ[0] ){ 180 j,c1,cn, mapZ[c1], mapZ[cn] ); 241 if( mapZ[c1] == me ) { 243 if ( mapZ[j] != me ) { 246 send_to = mapZ[j]; 253 if ( mapZ[j] != mapZ[c1] ) { 317 if ( mapZ[j] != mapZ[c1] ) { 318 iscratch[ mapZ[j] ] = mapZ[c1]; [all …]
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H A D | clustrxx30.c | 159 if( me == mapZ[0] ){ 166 j,c1,cn, mapZ[c1], mapZ[cn] ); 174 if( me == mapZ[0] ){ 181 j,c1,cn, mapZ[c1], mapZ[cn] ); 242 if( mapZ[c1] == me ) { 247 send_to = mapZ[j]; 255 if ( mapZ[j] != mapZ[c1] ) { 319 if ( mapZ[j] != mapZ[c1] ) { 320 iscratch[ mapZ[j] ] = mapZ[c1]; 429 if ( mapZ[j] == me ) { [all …]
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H A D | clustrxx33.c | 152 if( me == mapZ[0] ){ 160 j,c1,cn, mapZ[c1], mapZ[cn] ); 173 if( me == mapZ[0] ){ 180 j,c1,cn, mapZ[c1], mapZ[cn] ); 241 if( mapZ[c1] == me ) { 246 send_to = mapZ[j]; 254 if ( mapZ[j] != mapZ[c1] ) { 318 if ( mapZ[j] != mapZ[c1] ) { 319 iscratch[ mapZ[j] ] = mapZ[c1]; 428 if ( mapZ[j] == me ) { [all …]
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H A D | clustrxx3.c | 152 if( me == mapZ[0] ){ 160 j,c1,cn, mapZ[c1], mapZ[cn] ); 173 if( me == mapZ[0] ){ 180 j,c1,cn, mapZ[c1], mapZ[cn] ); 241 if( mapZ[c1] == me ) { 246 send_to = mapZ[j]; 254 if ( mapZ[j] != mapZ[c1] ) { 318 if ( mapZ[j] != mapZ[c1] ) { 319 iscratch[ mapZ[j] ] = mapZ[c1]; 428 if ( mapZ[j] == me ) { [all …]
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H A D | pdsptri.c | 50 meigval, vecZ, mapZ, eval, iscratch, iscsize, in pdsptri() argument 327 else if ( mapZ == NULL ) 373 memreq_( &itmp, n, mapZ, mapZ, mapZ, &i, &j, &k, i_scrat ); 396 if ( mapZ[ k ] < 0 || mapZ[ k ] > nproc - 1 ) 401 nvecsZ = count_list( me, mapZ, &msize ); 430 nn_proc = reduce_list2( *n, mapZ, proclist); 510 mapZ_0 = *mapZ; 556 nvecsZ2 = count_list( me, mapZ, meigval ); 564 mapZ, vecZ, d_scrat, i_scrat, iptr, info); 594 mdiff1_( &nZ2, &mapZ[neigval], meigval, mapZ, i_scrat, &num_procs ); [all …]
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H A D | pdsptri2.c | 50 meigval, vecZ, mapZ, eval, iscratch, iscsize, in pdsptri2() argument 328 else if ( mapZ == NULL ) 374 memreq_( &itmp, n, mapZ, mapZ, mapZ, &i, &j, &k, i_scrat ); 397 if ( mapZ[ k ] < 0 || mapZ[ k ] > nproc - 1 ) 402 nvecsZ = count_list( me, mapZ, &msize ); 431 nn_proc = reduce_list2( *n, mapZ, proclist); 511 mapZ_0 = *mapZ; 556 nvecsZ2 = count_list( me, mapZ, meigval ); 564 mapZ, vecZ, d_scrat, i_scrat, iptr, info); 594 mdiff1_( &nZ2, &mapZ[neigval], meigval, mapZ, i_scrat, &num_procs ); [all …]
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H A D | clustrxx5.c | 216 if( mapZ[c1] == me ) { 218 if ( mapZ[j] != me ) { 221 send_to = mapZ[j]; 229 if ( mapZ[j] != mapZ[c1] ) { 230 if ( mapZ[j] == me ) { 233 recv_from = mapZ[c1]; 294 if ( mapZ[j] != mapZ[c1] ) { 295 iscratch[ mapZ[j] ] = mapZ[c1]; 314 if ( mapZ[i] == me ) 413 if ( mapZ[j] == me ) { [all …]
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H A D | b_ortho.c | 42 void b_ortho ( n, colB, mapB, m, colZ, mapZ, ibuffptr, iwork, work, ort, info) in b_ortho() argument 43 Integer *n, *mapB, *m, *mapZ, *iwork, *info; in b_ortho() 202 nvecsZ = fil_mapvec_( &me, m, mapZ, mapvecZ ); 237 mxm88( &ll, colB, mapB, m, vecZ1, mapZ, iscrat, scrat, vecZ1 + 2*nvecsZ + 1); 243 mxm25( m, &ll, colZ, mapZ, m, vecZ1, mapZ, vecZ2, iscrat, scrat); 251 mat_max ( m, m, vecZ2, mapZ, ort, iscrat, scrat); 256 mdiff1_( n, mapB, m, mapZ, iscrat, &nprocs ); 259 iscrat[nprocs] = mapZ[0]; 261 bbcast00( (char *) ort, sizeof(DoublePrecision), 1, mapZ[0], nprocs, iscrat );
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H A D | pstein3.c | 45 mapZ, vecZ, ddwork, iiwork, ppiwork, info ) in pstein() argument 47 Integer *n, *meigval, *iblock, *nsplit, *isplit, *mapZ, in pstein() 210 else if ( mapZ == NULL ) 275 if ( mapZ[ k ] < 0 || mapZ[ k ] > nproc - 1 ) 284 nvecsZ = count_list( me, mapZ, meigval ); 312 reduce_maps( *meigval, mapZ, 0, mapZ, 0, mapZ, &nn_proc, proclist ); 395 nn_proc = reduce_list2( neigval, mapZ, iwork ); 446 nvecsZ = fil_mapvec_( &me, &neigval, mapZ, mapvZ ); 481 ibad = clustrinv_( &msize, dd, ee, ptbeval, clustr_info, &numclstr, mapZ, 514 tresid( n, meigval, dd, ee, vecZ, mapZ, eval, iiwork, ddwork, &res, &linfo); [all …]
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H A D | pdcomplex.c | 43 void pdcomplex(n, vecZ, mapZ, eval, scratch, iscratch, info) in pdcomplex() argument 44 Integer *n, *mapZ, *iscratch, *info; in pdcomplex() 127 nvecsZ = count_list( me, mapZ, &msize ); 155 reduce_maps( msize, mapZ, *n, mapZ, 0, mapZ, &nn_proc, proclist ); 183 if ( mapZ[k] == me ){ 189 k, mapZ[k], nn_proc, proclist); 200 if ( mapZ[jjj] == me ){ 222 if ( mapZ[l_good] == me ) {
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