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tuning on sparc
This commit is contained in:
Robert Harrison
parent
784249b701
commit
96ca89211d
2 changed files with 133 additions and 42 deletions
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@ -37,7 +37,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -143,7 +143,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -215,7 +215,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -295,7 +295,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -381,7 +381,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -481,7 +481,7 @@ c!!
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -568,7 +568,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -628,7 +628,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -696,7 +696,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -770,7 +770,7 @@ c
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$ dij, dik, dli, djk, dlj, dlk,
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$ fij, fik, fli, fjk, flj, flk )
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -848,7 +848,7 @@ c
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subroutine fock_2e_rep_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, ilab, jlab, klab, llab, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -932,7 +932,7 @@ c
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subroutine fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, ilab, jlab, klab, llab, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1016,7 +1016,7 @@ c
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subroutine fock_2e_rep_2_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, ilab, jlab, klab, llab, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1079,7 +1079,7 @@ c
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subroutine fock_2e_rep_3_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, ilab, jlab, klab, llab, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1151,7 +1151,7 @@ c
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subroutine fock_2e_rep_4_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, ilab, jlab, klab, llab, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1232,7 +1232,7 @@ c
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subroutine fock_2e_rep_mod_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, labels, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1313,9 +1313,6 @@ c
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end
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subroutine fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, labels, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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c
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@ -1331,6 +1328,32 @@ c
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integer ij, ik, jk, kl, il, jl
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double precision g, gk, gj, fij, fkl, fik, fil, fjl, fjk
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c
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#ifdef SOLARIS
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* Overwrite logic seems slower on UltraSparc
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do ind = 1, neri
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g = eri(ind)
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if (abs(g) .gt. tol2e) then
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gj = g*jfac
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gk = g*kfac
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i = labels(1,ind)
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j = labels(2,ind)
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k = labels(3,ind)
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l = labels(4,ind)
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ij = im(i) + j
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kl = im(k) + l
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ik = im(i) + k
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il = im(i) + l
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jl = im(j) + l
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jk = im(j) + k
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fock(ij) = fock(ij) + gj*dens(kl)
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fock(kl) = fock(kl) + gj*dens(ij)
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fock(ik) = fock(ik) + gk*dens(jl)
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fock(il) = fock(il) + gk*dens(jk)
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fock(jl) = fock(jl) + gk*dens(ik)
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fock(jk) = fock(jk) + gk*dens(il)
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end if
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end do
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#else
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do ind = 1, neri
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g = eri(ind)
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if (abs(g) .gt. tol2e) then
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@ -1340,11 +1363,6 @@ c
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j = labels(2,ind)
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k = labels(3,ind)
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l = labels(4,ind)
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* debug
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* if (i.lt.0 .or. i.ge.nbf) call errquit(' i bad', i)
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* if (j.lt.0 .or. j.ge.nbf) call errquit(' j bad', j)
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* if (l.lt.0 .or. l.ge.nbf) call errquit(' l bad', l)
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* if (k.lt.0 .or. k.ge.nbf) call errquit(' k bad', k)
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c
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c Logic behind this choice is that indices vary mostly with
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c i>=j and k>=l with kl varying fastest ... improved cache hits?
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@ -1362,14 +1380,11 @@ c
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if (i .eq. j) gk = gk + gk
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fock(ij) = fij
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fock(kl) = fkl
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c
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if (k .eq. l) gk = gk + gk
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c
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ik = im(i) + k
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il = im(i) + l
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jl = im(j) + l
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jk = im(j) + k
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fik = fock(ik) + gk*dens(jl)
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fil = fock(il) + gk*dens(jk)
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fjk = fock(jk) + gk*dens(il)
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@ -1378,23 +1393,95 @@ c
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fock(il) = fil
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fock(jl) = fjl
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fock(jk) = fjk
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c
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c Code without overwrite logic
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c
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c$$$ fock(ij) = fock(ij) + gj*dens(kl)
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c$$$ fock(kl) = fock(kl) + gj*dens(ij)
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c$$$ fock(ik) = fock(ik) + gk*dens(jl)
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c$$$ fock(il) = fock(il) + gk*dens(jk)
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c$$$ fock(jl) = fock(jl) + gk*dens(ik)
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c$$$ fock(jk) = fock(jk) + gk*dens(il)
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end if
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end do
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#endif
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c
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end
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c$$$ subroutine fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e,
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c$$$ $ neri, labels, eri, dens, fock)
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c$$$c
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c$$$c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c$$$c
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c$$$ implicit none
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c$$$#include "cfockmul.fh"
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c$$$c
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c$$$ integer nfock, nbf
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c$$$ double precision tol2e
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c$$$ integer neri
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c$$$ integer labels(4,neri)
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c$$$ double precision eri(neri)
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c$$$ double precision fock(0:*), dens(0:*)
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c$$$ double precision jfac, kfac
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c$$$c
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c$$$ integer i, j, k, l, ind
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c$$$ integer ij, ik, jk, kl, il, jl
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c$$$ double precision g, gk, gj, fij, fkl, fik, fil, fjl, fjk
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c$$$c
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c$$$ do ind = 1, neri
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c$$$ g = eri(ind)
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c$$$ if (abs(g) .gt. tol2e) then
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c$$$ gj = g*jfac
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c$$$ gk = g*kfac
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c$$$ i = labels(1,ind)
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c$$$ j = labels(2,ind)
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c$$$ k = labels(3,ind)
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c$$$ l = labels(4,ind)
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c$$$* debug
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c$$$* if (i.lt.0 .or. i.ge.nbf) call errquit(' i bad', i)
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c$$$* if (j.lt.0 .or. j.ge.nbf) call errquit(' j bad', j)
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c$$$* if (l.lt.0 .or. l.ge.nbf) call errquit(' l bad', l)
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c$$$* if (k.lt.0 .or. k.ge.nbf) call errquit(' k bad', k)
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c$$$c
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c$$$c Logic behind this choice is that indices vary mostly with
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c$$$c i>=j and k>=l with kl varying fastest ... improved cache hits?
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c$$$c If change this mapping must change overwrite logic below
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c$$$c
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c$$$ ij = im(i) + j ! NOT im1 since go from 0
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c$$$ kl = im(k) + l
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c$$$ if (ij .eq. kl) gj = gj + gj
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c$$$c
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c$$$c Using overwrite logic ... separates stores/loads, and enables
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c$$$c partial pipelining of */+ pairs ... at least in principle
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c$$$c
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c$$$ fij = fock(ij) + gj*dens(kl)
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c$$$ fkl = fock(kl) + gj*dens(ij)
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c$$$ if (i .eq. j) gk = gk + gk
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c$$$ fock(ij) = fij
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c$$$ fock(kl) = fkl
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c$$$c
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c$$$ if (k .eq. l) gk = gk + gk
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c$$$c
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c$$$ ik = im(i) + k
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c$$$ il = im(i) + l
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c$$$ jl = im(j) + l
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c$$$ jk = im(j) + k
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c$$$
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c$$$ fik = fock(ik) + gk*dens(jl)
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c$$$ fil = fock(il) + gk*dens(jk)
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c$$$ fjk = fock(jk) + gk*dens(il)
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c$$$ fjl = fock(jl) + gk*dens(ik)
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c$$$ fock(ik) = fik
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c$$$ fock(il) = fil
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c$$$ fock(jl) = fjl
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c$$$ fock(jk) = fjk
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c$$$c
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c$$$c Code without overwrite logic
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c$$$c
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c$$$c$$$ fock(ij) = fock(ij) + gj*dens(kl)
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c$$$c$$$ fock(kl) = fock(kl) + gj*dens(ij)
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c$$$c$$$ fock(ik) = fock(ik) + gk*dens(jl)
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c$$$c$$$ fock(il) = fock(il) + gk*dens(jk)
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c$$$c$$$ fock(jl) = fock(jl) + gk*dens(ik)
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c$$$c$$$ fock(jk) = fock(jk) + gk*dens(il)
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c$$$ end if
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c$$$ end do
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c$$$c
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c$$$ end
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subroutine fock_2e_rep_mod_2_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, labels, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1450,7 +1537,7 @@ c
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subroutine fock_2e_rep_mod_3_label(nfock, nbf, jfac, kfac, tol2e,
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$ neri, labels, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1516,7 +1603,7 @@ c
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$ (nfock, nbf, jfac, kfac, tol2e,
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$ neri, labels, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1695,7 +1782,7 @@ c
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$ (nfock, nbf, jfac, kfac, tol2e,
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$ neri, labels, eri, dens, fock)
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c
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c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
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c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
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c
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implicit none
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#include "cfockmul.fh"
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@ -1854,7 +1941,7 @@ c
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$ (nfock, nbf, jfac, kfac, tol2e,
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$ neri, labels, eri, dens, fock)
|
||||
c
|
||||
c $Id: fock_2e_lab.F,v 1.10 1997-09-06 01:16:59 d3g681 Exp $
|
||||
c $Id: fock_2e_lab.F,v 1.11 1999-08-07 23:33:08 d3g681 Exp $
|
||||
c
|
||||
implicit none
|
||||
#include "cfockmul.fh"
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
#ifdef HAVE_FORTRAN_INTEGER2
|
||||
subroutine util_pack_16(nunpacked, packed, unpacked)
|
||||
*
|
||||
* $Id: util_pack.F,v 1.13 1999-08-06 22:02:50 d3g681 Exp $
|
||||
* $Id: util_pack.F,v 1.14 1999-08-07 23:34:28 d3g681 Exp $
|
||||
*
|
||||
implicit none
|
||||
integer nunpacked
|
||||
|
|
@ -121,6 +121,10 @@ c
|
|||
byte packed(*), unpacked(4,*)
|
||||
c
|
||||
integer i, ilo, ihi, ndo
|
||||
c
|
||||
c This routine has been tweaked for IBM P2SC for which
|
||||
c the slow clock and high memory bandwidth does not
|
||||
c favour bit operations in the inner loop.
|
||||
c
|
||||
do ilo = 1, nunpacked, 32768 ! 128 K cache
|
||||
ihi = min(nunpacked, ilo+32768-1)
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue