/dports/math/scalapack/scalapack-2.1.0/SRC/ |
H A D | pssyttrd.f | 530 LWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + NPS 633 INVT = INH + ( ANB+1 )*LDV 636 INTMP = INVT + LDV*( ANB+1 ) 641 INHT = INH + LDV*( ANB+1 ) 642 INV = INHT + LDV*( ANB+1 ) 650 INVT = INV + LDV*( ANB+1 ) + 1 651 INTMP = INVT + LDV*( 2*ANB ) 692 DO 210 MININDEX = 1, N - 1, ANB 695 MAXINDEX = MIN( MININDEX+ANB-1, N ) 1136 NBZG = ANB*2 [all …]
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H A D | pzhettrd.f | 535 LWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + NPS 638 INVT = INH + ( ANB+1 )*LDV 641 INTMP = INVT + LDV*( ANB+1 ) 646 INHT = INH + LDV*( ANB+1 ) 647 INV = INHT + LDV*( ANB+1 ) 655 INVT = INV + LDV*( ANB+1 ) + 1 656 INTMP = INVT + LDV*( 2*ANB ) 697 DO 210 MININDEX = 1, N - 1, ANB 700 MAXINDEX = MIN( MININDEX+ANB-1, N ) 1142 NBZG = ANB*2 [all …]
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H A D | pchettrd.f | 534 LWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + NPS 637 INVT = INH + ( ANB+1 )*LDV 640 INTMP = INVT + LDV*( ANB+1 ) 645 INHT = INH + LDV*( ANB+1 ) 646 INV = INHT + LDV*( ANB+1 ) 654 INVT = INV + LDV*( ANB+1 ) + 1 655 INTMP = INVT + LDV*( 2*ANB ) 696 DO 210 MININDEX = 1, N - 1, ANB 699 MAXINDEX = MIN( MININDEX+ANB-1, N ) 1141 NBZG = ANB*2 [all …]
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H A D | pdsyttrd.f | 531 LWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + NPS 634 INVT = INH + ( ANB+1 )*LDV 637 INTMP = INVT + LDV*( ANB+1 ) 642 INHT = INH + LDV*( ANB+1 ) 643 INV = INHT + LDV*( ANB+1 ) 651 INVT = INV + LDV*( ANB+1 ) + 1 652 INTMP = INVT + LDV*( 2*ANB ) 693 DO 210 MININDEX = 1, N - 1, ANB 696 MAXINDEX = MIN( MININDEX+ANB-1, N ) 1137 NBZG = ANB*2 [all …]
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H A D | pssyntrd.f | 262 INTEGER ANB, CTXTB, I, IACOL, IAROW, ICOFFA, ICTXT, 316 ANB = PJLAENV( ICTXT, 3, 'PSSYTTRD', 'L', 0, 0, 0, 0 ) 319 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 320 TTLWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+4 )*NPS
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H A D | pdsyntrd.f | 263 INTEGER ANB, CTXTB, I, IACOL, IAROW, ICOFFA, ICTXT, local 317 ANB = PJLAENV( ICTXT, 3, 'PDSYTTRD', 'L', 0, 0, 0, 0 ) 320 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 321 TTLWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+4 )*NPS
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H A D | pchentrd.f | 279 INTEGER ANB, CTXTB, I, IACOL, IAROW, ICOFFA, ICTXT, 334 ANB = PJLAENV( ICTXT, 3, 'PCHETTRD', 'L', 0, 0, 0, 0 ) 337 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 338 TTLWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+2 )*NPS
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H A D | pzhentrd.f | 279 INTEGER ANB, CTXTB, I, IACOL, IAROW, ICOFFA, ICTXT, local 334 ANB = PJLAENV( ICTXT, 3, 'PZHETTRD', 'L', 0, 0, 0, 0 ) 337 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 338 TTLWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+2 )*NPS
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H A D | pchegvx.f | 509 INTEGER ANB, IACOL, IAROW, IBCOL, IBROW, ICOFFA, local 638 ANB = PJLAENV( ICTXT, 3, 'PCHETTRD', 'L', 0, 0, 0, 0 ) 640 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 641 NHETRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+4 )*NPS
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H A D | pssygvx.f | 504 INTEGER ANB, IACOL, IAROW, IBCOL, IBROW, ICOFFA, local 628 ANB = PJLAENV( ICTXT, 3, 'PSSYTTRD', 'L', 0, 0, 0, 0 ) 630 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 631 NSYTRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+4 )*NPS
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H A D | pzhegvx.f | 509 INTEGER ANB, IACOL, IAROW, IBCOL, IBROW, ICOFFA, 638 ANB = PJLAENV( ICTXT, 3, 'PZHETTRD', 'L', 0, 0, 0, 0 ) 640 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 641 NHETRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+4 )*NPS
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H A D | pdsygvx.f | 504 INTEGER ANB, IACOL, IAROW, IBCOL, IBROW, ICOFFA, local 627 ANB = PJLAENV( ICTXT, 3, 'PDSYTTRD', 'L', 0, 0, 0, 0 ) 629 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 630 NSYTRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+4 )*NPS
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H A D | pdsyevx.f | 480 INTEGER ANB, CSRC_A, I, IAROW, ICOFFA, ICTXT, IINFO, local 628 ANB = PJLAENV( ICTXT, 3, 'PDSYTTRD', 'L', 0, 0, 0, 0 ) 630 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 631 NSYTRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+4 )*NPS
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/dports/math/scalapack/scalapack-2.1.0/TESTING/EIG/ |
H A D | pdttrdtester.f | 124 INTEGER ANB, BALANCED, BCKBLOCK, GSTBLOCK, INTERLEAVE, local 133 COMMON / TAILOREDOPTS / PNB, ANB, INTERLEAVE, local 254 ANB = -13 267 ANB = ANBTIME( K ) 276 ANB = ANBTEST( K ) 355 NPS = MAX( NUMROC( N, 1, 0, 0, NPROW ), 2*ANB ) 356 LWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + NPS 554 $ TWOGEMMS, BALANCED, ANB, PNB, NPROW*NPCOL, 566 $ TWOGEMMS, BALANCED, ANB, PNB, NPROW*NPCOL, 592 WRITE( NOUT, FMT = 9986 )N, NPROW*NPCOL, PNB, ANB,
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H A D | psttrdtester.f | 124 INTEGER ANB, BALANCED, BCKBLOCK, GSTBLOCK, INTERLEAVE, 133 COMMON / TAILOREDOPTS / PNB, ANB, INTERLEAVE, 254 ANB = -13 267 ANB = ANBTIME( K ) 276 ANB = ANBTEST( K ) 355 NPS = MAX( NUMROC( N, 1, 0, 0, NPROW ), 2*ANB ) 356 LWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + NPS 554 $ TWOGEMMS, BALANCED, ANB, PNB, NPROW*NPCOL, 566 $ TWOGEMMS, BALANCED, ANB, PNB, NPROW*NPCOL, 592 WRITE( NOUT, FMT = 9986 )N, NPROW*NPCOL, PNB, ANB,
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H A D | pcttrdtester.f | 126 INTEGER ANB, BALANCED, BCKBLOCK, GSTBLOCK, INTERLEAVE, 135 COMMON / TAILOREDOPTS / PNB, ANB, INTERLEAVE, 256 ANB = -13 269 ANB = ANBTIME( K ) 278 ANB = ANBTEST( K ) 359 NPS = MAX( NUMROC( N, 1, 0, 0, NPROW ), 2*ANB ) 360 LWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + NPS 559 $ TWOGEMMS, BALANCED, ANB, PNB, NPROW*NPCOL, 571 $ TWOGEMMS, BALANCED, ANB, PNB, NPROW*NPCOL, 597 WRITE( NOUT, FMT = 9986 )N, NPROW*NPCOL, PNB, ANB,
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H A D | pzttrdtester.f | 125 INTEGER ANB, BALANCED, BCKBLOCK, GSTBLOCK, INTERLEAVE, local 134 COMMON / TAILOREDOPTS / PNB, ANB, INTERLEAVE, local 255 ANB = -13 268 ANB = ANBTIME( K ) 277 ANB = ANBTEST( K ) 358 NPS = MAX( NUMROC( N, 1, 0, 0, NPROW ), 2*ANB ) 359 LWMIN = 2*( ANB+1 )*( 4*NPS+2 ) + NPS 558 $ TWOGEMMS, BALANCED, ANB, PNB, NPROW*NPCOL, 570 $ TWOGEMMS, BALANCED, ANB, PNB, NPROW*NPCOL, 596 WRITE( NOUT, FMT = 9986 )N, NPROW*NPCOL, PNB, ANB,
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H A D | xpjlaenv.f | 146 INTEGER ANB, BALANCED, BCKBLOCK, GSTBLOCK, INTERLEAVE, local 158 COMMON / TAILOREDOPTS / PNB, ANB, INTERLEAVE, local 385 ANB = NB 387 NB = ANB
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H A D | pzlasizesepr.f | 78 INTEGER ANB, ICTXT, NHETRD_LWOPT, NPS, SQNPC local 139 ANB = PJLAENV( ICTXT, 3, 'PZHETTRD', 'L', 0, 0, 0, 0 ) 141 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 142 NHETRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+2 )*NPS
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H A D | pclasizesepr.f | 78 INTEGER ANB, ICTXT, NHETRD_LWOPT, NPS, SQNPC local 139 ANB = PJLAENV( ICTXT, 3, 'PCHETTRD', 'L', 0, 0, 0, 0 ) 141 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 142 NHETRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+2 )*NPS
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H A D | pclasizegsep.f | 75 INTEGER ANB, CSRC_A, IACOL, IAROW, ICOFFA, ICTXT, local 139 ANB = PJLAENV( ICTXT, 3, 'PCHETTRD', 'L', 0, 0, 0, 0 ) 141 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 142 NHETRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+2 )*NPS
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H A D | pclasizesep.f | 81 INTEGER ANB, CSRC_A, IACOL, IAROW, ICOFFA, ICTXT, 145 ANB = PJLAENV( ICTXT, 3, 'PCHETTRD', 'L', 0, 0, 0, 0 ) 147 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 148 NHETRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+2 )*NPS
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H A D | pzlasizegsep.f | 75 INTEGER ANB, CSRC_A, IACOL, IAROW, ICOFFA, ICTXT, local 139 ANB = PJLAENV( ICTXT, 3, 'PZHETTRD', 'L', 0, 0, 0, 0 ) 141 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 142 NHETRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+2 )*NPS
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H A D | pzlasizesep.f | 81 INTEGER ANB, CSRC_A, IACOL, IAROW, ICOFFA, ICTXT, local 145 ANB = PJLAENV( ICTXT, 3, 'PZHETTRD', 'L', 0, 0, 0, 0 ) 147 NPS = MAX( NUMROC( N, 1, 0, 0, SQNPC ), 2*ANB ) 148 NHETRD_LWOPT = 2*( ANB+1 )*( 4*NPS+2 ) + ( NPS+2 )*NPS
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/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
H A D | 4anb_yqy.sdf | 3 Coordinates from PDB:4ANB:A:1382 Model:1 without hydrogens 119 4ANB
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