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/dports/math/scalapack/scalapack-2.1.0/SRC/
H A Dpssyttrd.f530 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 …]
H A Dpzhettrd.f535 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 …]
H A Dpchettrd.f534 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 …]
H A Dpdsyttrd.f531 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 …]
H A Dpssyntrd.f262 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
H A Dpdsyntrd.f263 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
H A Dpchentrd.f279 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
H A Dpzhentrd.f279 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
H A Dpchegvx.f509 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
H A Dpssygvx.f504 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
H A Dpzhegvx.f509 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
H A Dpdsygvx.f504 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
H A Dpdsyevx.f480 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
/dports/math/scalapack/scalapack-2.1.0/TESTING/EIG/
H A Dpdttrdtester.f124 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,
H A Dpsttrdtester.f124 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,
H A Dpcttrdtester.f126 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,
H A Dpzttrdtester.f125 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,
H A Dxpjlaenv.f146 INTEGER ANB, BALANCED, BCKBLOCK, GSTBLOCK, INTERLEAVE, local
158 COMMON / TAILOREDOPTS / PNB, ANB, INTERLEAVE, local
385 ANB = NB
387 NB = ANB
H A Dpzlasizesepr.f78 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
H A Dpclasizesepr.f78 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
H A Dpclasizegsep.f75 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
H A Dpclasizesep.f81 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
H A Dpzlasizegsep.f75 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
H A Dpzlasizesep.f81 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
/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/
H A D4anb_yqy.sdf3 Coordinates from PDB:4ANB:A:1382 Model:1 without hydrogens
119 4ANB

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