diff --git a/src/NWints/api/int_2e4c.F b/src/NWints/api/int_2e4c.F index 6ee58b021a..218f1a7468 100644 --- a/src/NWints/api/int_2e4c.F +++ b/src/NWints/api/int_2e4c.F @@ -1,4 +1,4 @@ -c $Id: int_2e4c.F,v 1.38 2000-06-06 23:54:14 mg201 Exp $ +c $Id: int_2e4c.F,v 1.39 2000-10-25 22:50:03 windus Exp $ * c:tex-% this is part of the API Standard Integral routines. c:tex-\subsection{int\_2e4c} @@ -178,6 +178,13 @@ c... stat nw c... stat rel status_rel = dyall_mod_dir .and. .not.nesc_1e_approx & .and. (brain .eq. ketin) .and. (brain .eq. ao_bsh) +c +c The following 4 lines are to take care of compiler warnings. +c + i_rel = .false. + j_rel = .false. + k_rel = .false. + l_rel = .false. if (status_rel) then c c get basis set handles; relativistic integral option valid diff --git a/src/NWints/deriv/hf1d.F b/src/NWints/deriv/hf1d.F index 9610bc4466..51087c1837 100644 --- a/src/NWints/deriv/hf1d.F +++ b/src/NWints/deriv/hf1d.F @@ -4,7 +4,7 @@ & Cxyz,zan,exinv,ncenters, & bO2I,bKEI,bNAI,Nint, & O2I,KEI,NAI,canAB,dryrun,W0,maxW0) -c $Id: hf1d.F,v 1.11 1999-10-26 22:31:43 mg201 Exp $ +c $Id: hf1d.F,v 1.12 2000-10-25 22:50:04 windus Exp $ Implicit real*8 (a-h,o-z) Implicit integer (i-n) @@ -124,6 +124,7 @@ c Assign pointers to scratch space. end if + MaxMem = 1 ! take care of compiler warnings if (dryrun) then MaxMem = i_left + (maxW0 - (i_right-1)) NPP = NPA*NPB diff --git a/src/NWints/deriv/hf2d.F b/src/NWints/deriv/hf2d.F index 00a08cf1c1..8ff821a578 100644 --- a/src/NWints/deriv/hf2d.F +++ b/src/NWints/deriv/hf2d.F @@ -6,7 +6,7 @@ & bERI,Nint,canAB,canCD,canPQ,dryrun, & W0,maxW0) Implicit None -C $Id: hf2d.F,v 1.14 2000-02-04 01:20:48 mg201 Exp $ +C $Id: hf2d.F,v 1.15 2000-10-25 22:50:04 windus Exp $ #include "global.fh" #include "apiP.fh" Logical canAB,canCD,canPQ,dryrun @@ -239,6 +239,7 @@ c Assign pointers to scratch space. end if + MaxMem = 1 ! take care of compiler warnings if (dryrun) then MaxMem = i_left + (maxW0-(i_right-1)) NPP = NPA*NPB diff --git a/src/NWints/deriv/hf2d_2a.F b/src/NWints/deriv/hf2d_2a.F index e988cf49dc..e7622c1c72 100644 --- a/src/NWints/deriv/hf2d_2a.F +++ b/src/NWints/deriv/hf2d_2a.F @@ -5,7 +5,7 @@ & Dxyz,Dprims,Dcoefs,NPD,NCD,Ld,ictrd, & bERI,Nint,canAB,canCD,canPQ,dryrun, & W0,maxW0) -C $Id: hf2d_2a.F,v 1.2 1995-02-08 21:27:20 d3e129 Exp $ +C $Id: hf2d_2a.F,v 1.3 2000-10-25 22:50:04 windus Exp $ Implicit None Logical canAB,canCD,canPQ,dryrun @@ -41,6 +41,11 @@ c... do first block a_cof = a_exp + npa1 ! coeff block k0s = a_cof + npa1*NCA ! start of scratch maxw0new = maxw0 - k0s ! new scratch size + + mem1add = k0s ! take care of compiler warnings + mem1 = mem1add + mem2add = mem1 + if (dryrun) then mem1add = k0s else diff --git a/src/NWints/deriv/hf2d_2a2b.F b/src/NWints/deriv/hf2d_2a2b.F index d3eb709f42..37f531f1c8 100644 --- a/src/NWints/deriv/hf2d_2a2b.F +++ b/src/NWints/deriv/hf2d_2a2b.F @@ -5,7 +5,7 @@ & Dxyz,Dprims,Dcoefs,NPD,NCD,Ld,ictrd, & bERI,Nint,canAB,canCD,canPQ,dryrun, & W0,maxW0) -C $Id: hf2d_2a2b.F,v 1.2 1995-02-08 21:27:21 d3e129 Exp $ +C $Id: hf2d_2a2b.F,v 1.3 2000-10-25 22:50:04 windus Exp $ Implicit None Logical canAB,canCD,canPQ,dryrun @@ -45,6 +45,15 @@ c... do first of 4 blocks (a1|b1|*) b_cof = b_exp + npb1 k0s = b_cof + npb1*NCB maxw0new = maxw0 - k0s + + mem1 = k0s ! take care of compiler warnings + mem2 = k0s + mem3 = k0s + mem1add = mem1 + mem2add = mem2 + mem3add = mem3 + mem4add = mem3 + if (dryrun) then mem1add = k0s else diff --git a/src/NWints/deriv/hf2d_2b.F b/src/NWints/deriv/hf2d_2b.F index ed263dd101..cdfc6c598c 100644 --- a/src/NWints/deriv/hf2d_2b.F +++ b/src/NWints/deriv/hf2d_2b.F @@ -5,7 +5,7 @@ & Dxyz,Dprims,Dcoefs,NPD,NCD,Ld,ictrd, & bERI,Nint,canAB,canCD,canPQ,dryrun, & W0,maxW0) -C $Id: hf2d_2b.F,v 1.2 1995-02-08 21:27:22 d3e129 Exp $ +C $Id: hf2d_2b.F,v 1.3 2000-10-25 22:50:04 windus Exp $ Implicit None Logical canAB,canCD,canPQ,dryrun @@ -40,6 +40,11 @@ c... do first block b_cof = b_exp + npb1 ! coeff block k0s = b_cof + npb1*NCB ! start of scratch maxw0new = maxw0 - k0s ! new scratch size + + mem1add = k0s ! take care of compiler warnings + mem1 = mem1add + mem2add = mem1 + if (dryrun) then mem1add = k0s else diff --git a/src/NWints/deriv/hf2d_3a.F b/src/NWints/deriv/hf2d_3a.F index 75eb286ae1..96e7d1554f 100644 --- a/src/NWints/deriv/hf2d_3a.F +++ b/src/NWints/deriv/hf2d_3a.F @@ -5,7 +5,7 @@ & Dxyz,Dprims,Dcoefs,NPD,NCD,Ld,ictrd, & bERI,Nint,canAB,canCD,canPQ,dryrun, & W0,maxW0) -C $Id: hf2d_3a.F,v 1.2 1995-02-08 21:27:23 d3e129 Exp $ +C $Id: hf2d_3a.F,v 1.3 2000-10-25 22:50:04 windus Exp $ Implicit None Logical canAB,canCD,canPQ,dryrun @@ -48,6 +48,13 @@ c... do first block (a1|*) k0s = a_cof + npa1*NCA ! start of scratch maxw0new = maxw0 - k0s ! new scratch size call dcopy(npa1,Aprims,1,W0(a_exp),1) ! copy exponents + + mem1 = k0s ! take care of compiler warnings + mem2 = k0s + mem1add = mem1 + mem2add = mem2 + mem3add = mem2 + if (dryrun) then mem1add = k0s else diff --git a/src/NWints/deriv/hf2d_3a2b.F b/src/NWints/deriv/hf2d_3a2b.F index 74772e31f5..600af5d2f1 100644 --- a/src/NWints/deriv/hf2d_3a2b.F +++ b/src/NWints/deriv/hf2d_3a2b.F @@ -5,7 +5,7 @@ & Dxyz,Dprims,Dcoefs,NPD,NCD,Ld,ictrd, & bERI,Nint,canAB,canCD,canPQ,dryrun, & W0,maxW0) -C $Id: hf2d_3a2b.F,v 1.2 1995-02-08 21:27:25 d3e129 Exp $ +C $Id: hf2d_3a2b.F,v 1.3 2000-10-25 22:50:04 windus Exp $ Implicit None Logical canAB,canCD,canPQ,dryrun @@ -59,6 +59,19 @@ c... first block of six (a1|b1|*) a_cof = a_exp + npa1 k0s = a_cof + npa1*NCA maxw0new = maxw0 - k0s + + mem1 = k0s ! take care of compiler warnings + mem2 = k0s + mem3 = k0s + mem4 = k0s + mem5 = k0s + mem1add = mem1 + mem2add = mem2 + mem3add = mem3 + mem4add = mem4 + mem5add = mem5 + mem6add = mem5 + if (dryrun) then mem1add = k0s else diff --git a/src/NWints/deriv/hf2d_all.F b/src/NWints/deriv/hf2d_all.F index 3cc5a19f07..bc19a4135c 100644 --- a/src/NWints/deriv/hf2d_all.F +++ b/src/NWints/deriv/hf2d_all.F @@ -5,7 +5,7 @@ & Dxyz,Dprims,Dcoefs,NPD,NCD,Ld,ictrd, & bERI,Nint,canAB,canCD,canPQ,dryrun, & W0,maxW0) -C $Id: hf2d_all.F,v 1.1 1998-02-27 07:08:37 d3e129 Exp $ +C $Id: hf2d_all.F,v 1.2 2000-10-25 22:50:05 windus Exp $ Implicit None Logical canAB,canCD,canPQ,dryrun @@ -47,7 +47,7 @@ c ngsize = nint*12 memscr = ngsize + 1 maxw0new = MaxW0 - ngsize - if (dryrun) mem_need = 0 + mem_need = 0 if (.not.dryrun) call dfill(ngsize,0.0d00,bERI,1) do a_p = 1, NPA do b_p = 1,NPB @@ -132,7 +132,7 @@ c ngsize = nint*12 memscr = ngsize + 1 maxw0new = MaxW0 - ngsize - if (dryrun) mem_need = 0 + mem_need = 0 if (.not.dryrun) call dfill(ngsize,0.0d00,bERI,1) do apl = 1, NPA, ba aph = min( NPA, (apl+ba-1)) diff --git a/src/NWints/deriv/hfd3oi.F b/src/NWints/deriv/hfd3oi.F index 9ca66717fc..252002b1f1 100644 --- a/src/NWints/deriv/hfd3oi.F +++ b/src/NWints/deriv/hfd3oi.F @@ -5,7 +5,7 @@ & Cxyz,Cprims,Ccoef,NPC,NCC,Lc, & d3OI,Nintin, & DryRun,W0,maxW0) -* $Id: hfd3oi.F,v 1.1 1997-01-21 07:40:56 d3e129 Exp $ +* $Id: hfd3oi.F,v 1.2 2000-10-25 22:50:05 windus Exp $ implicit none #include "stdio.fh" * @@ -89,6 +89,8 @@ stop ' hfd3oi: fatal error ' endif + MaxMem = i_used ! take care of compiler warnings + if (DryRun) then MaxMem = i_used Nabc = NPA*NPB*NPC diff --git a/src/NWints/ecp/ecp_gradient.F b/src/NWints/ecp/ecp_gradient.F index 4c6dd56a08..0b610e97e0 100644 --- a/src/NWints/ecp/ecp_gradient.F +++ b/src/NWints/ecp/ecp_gradient.F @@ -1,4 +1,4 @@ -C $Id: ecp_gradient.F,v 1.14 1999-04-29 00:24:27 edo Exp $ +C $Id: ecp_gradient.F,v 1.15 2000-10-25 22:50:05 windus Exp $ ************************************************************************ * * subroutine ecp_gradient ( @@ -133,12 +133,12 @@ C $Id: ecp_gradient.F,v 1.14 1999-04-29 00:24:27 edo Exp $ & 'Mismatch of integral count in ecp_gradient',99) if (sphcart .ne. 0) call errquit( & 'Do your own spherical transformation, lazy bum!',99) - if (DryRun) then - max_type1 = 0 - max_type2 = 0 - else - call dfill (n_int*n_blk*3*n_cent,zero,ecp_grads,1) - end if + + max_type1 = 0 ! take care of compiler warnings + max_type2 = 0 + + if (.not.DryRun) + & call dfill (n_int*n_blk*3*n_cent,zero,ecp_grads,1) * * Set up pointers to scratch space for coefficients multiplied by * exponents and for integrals with shifted l values diff --git a/src/NWints/int/hf1.F b/src/NWints/int/hf1.F index 55563ee9b2..49318eb707 100644 --- a/src/NWints/int/hf1.F +++ b/src/NWints/int/hf1.F @@ -3,7 +3,7 @@ & Cxyz,zan,exinv,ncenters, & bO2I,bKEI,bNAI,Nints,O2I,KEI,NAI,canAB, & DryRun,W0,maxW0) -c $Id: hf1.F,v 1.18 2000-05-26 19:49:16 mg201 Exp $ +c $Id: hf1.F,v 1.19 2000-10-25 22:50:06 windus Exp $ Implicit none integer NPA,NCA,La,NPB,NCB,Lb,ncenters,Nints,maxW0 logical O2I,KEI,NAI,canAB @@ -135,6 +135,7 @@ c Assign pointers to scratch space. i_ESp = (maxW0+1) - 3*(NPA*NPB) i_right = i_ESp + MaxMem = 1 ! take care of compiler warnings if( DryRun )then MaxMem = i_left + (maxW0 - (i_right-1)) @@ -186,6 +187,10 @@ C write (LuOut,*) 'before hfmke' i_Ep = i_IPAIRp + 2*(NPA*NPB) i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod + + i_prim_ints = i_ptr ! take care of compiler warnings + i_half_ints = i_prim_ints + NPP + if (gencon) then i_prim_ints = i_ptr i_half_ints = i_prim_ints + NPP diff --git a/src/NWints/int/hf1_er.F b/src/NWints/int/hf1_er.F index 1e418317b8..3288787bf3 100644 --- a/src/NWints/int/hf1_er.F +++ b/src/NWints/int/hf1_er.F @@ -3,7 +3,7 @@ & Cxyz,zan,ncenters, & bO2I,bKEI,bNAI,Nint,O2I,KEI,NAI,canAB, & DryRun,W0,maxW0) -c $Id: hf1_er.F,v 1.2 1999-10-26 21:52:25 mg201 Exp $ +c $Id: hf1_er.F,v 1.3 2000-10-25 22:50:06 windus Exp $ implicit none integer NPA,NCA,NPB,NCB @@ -105,6 +105,8 @@ c Assign pointers to scratch space. end if + MaxMem = 1 ! take care of compiler warnings + if( DryRun )then MaxMem = i_left + (maxW0 - (i_right-1)) diff --git a/src/NWints/int/hf2.F b/src/NWints/int/hf2.F index 9a8453d72a..a0f20b4b41 100644 --- a/src/NWints/int/hf2.F +++ b/src/NWints/int/hf2.F @@ -1,4 +1,4 @@ -c $Id: hf2.F,v 1.20 2000-06-01 21:06:13 mg201 Exp $ +c $Id: hf2.F,v 1.21 2000-10-25 22:50:06 windus Exp $ Subroutine hf2(Axyz,Aprims,Acoefs,NPA,NCA,La, & Bxyz,Bprims,Bcoefs,NPB,NCB,Lb, & Cxyz,Cprims,Ccoefs,NPC,NCC,Lc, @@ -99,6 +99,7 @@ c Assign pointers to scratch space. i_ESp = (maxW0+1) - 3*(NPA*NPB) i_right = i_ESp + MaxMem = 1 ! take care of compiler warnings if (DryRun) then MaxMem = i_left + (maxW0 - (i_right-1)) NPP = NPA*NPB diff --git a/src/NWints/int/hf3OIs.f b/src/NWints/int/hf3OIs.f index e9b8772b39..2a0a73549c 100644 --- a/src/NWints/int/hf3OIs.f +++ b/src/NWints/int/hf3OIs.f @@ -3,7 +3,7 @@ & Cxyz,Cprims,Ccoef,NPC,Lc, & b3OI,Nint,TriDiag, & DryRun,W0,maxW0) -c $Id: hf3OIs.f,v 1.2 1994-04-04 20:31:02 d3e129 Exp $ +c $Id: hf3OIs.f,v 1.3 2000-10-25 22:50:06 windus Exp $ Implicit real*8 (a-h,o-z) Implicit integer (i-n) @@ -48,6 +48,8 @@ c Assign pointers to scratch space. end if + MaxMem = i_top ! take care of compiler warnings + if( DryRun )then MaxMem = i_top diff --git a/src/NWints/int/hf3pot.F b/src/NWints/int/hf3pot.F index d64cc7c86d..826919b08d 100644 --- a/src/NWints/int/hf3pot.F +++ b/src/NWints/int/hf3pot.F @@ -5,7 +5,7 @@ & b3nai,b3nai_sz,nint, & DryRun,Scr,lscr) c -c $Id: hf3pot.F,v 1.3 1998-05-05 21:49:05 d3e129 Exp $ +c $Id: hf3pot.F,v 1.4 2000-10-25 22:50:06 windus Exp $ c implicit none c:: includes @@ -94,6 +94,9 @@ c endif c c.. determine actual product pairs to be kept. +c The following line is to take care of compiler warnings. +c + maxmem = i_top if (DryRun) then maxmem = i_top Nabc = NPA*NPB*NPC diff --git a/src/NWints/texas/spec_block.F b/src/NWints/texas/spec_block.F index 37081c2cf3..cf23de9b48 100644 --- a/src/NWints/texas/spec_block.F +++ b/src/NWints/texas/spec_block.F @@ -1,4 +1,4 @@ -* $Id: spec_block.F,v 1.25 2000-05-05 21:11:12 edo Exp $ +* $Id: spec_block.F,v 1.26 2000-10-25 22:50:06 windus Exp $ c=============================================================== c kw 22.05.97 : nsupb(*) has been eleminated.(not used for PNNL) c kw 22.05.97 : nasize(*)has been eleminated. @@ -240,7 +240,9 @@ c c xblks_txs=0 c - nbl12=0 ! counter of super-blocks + memory_111 = 0 ! take care of compiler warnings +c + nbl12=0 ! counter of super-blocks do 100 ibl=1,nbl2 ijpar_all=npar(ibl) c diff --git a/src/NWints/texas/test_calc2.f b/src/NWints/texas/test_calc2.f index ddcac7cbcb..44475432ab 100644 --- a/src/NWints/texas/test_calc2.f +++ b/src/NWints/texas/test_calc2.f @@ -1,4 +1,4 @@ -* $Id: test_calc2.f,v 1.9 1999-07-29 01:05:49 d3e129 Exp $ +* $Id: test_calc2.f,v 1.10 2000-10-25 22:50:07 windus Exp $ c================================================================= c Only for test calculations : c @@ -56,13 +56,13 @@ c------------------------- c total number of cont.shell quartets : c c ij - if(num_bas_ij.eq.num_bas_1) then +c if(num_bas_ij.eq.num_bas_1) then ! take care of compiler warnings ish_b=1 ish_e=ncs_bas_1 jsh_b=1 jsh_e=ncs_bas_1 ij_shell=ncs_bas_1*(ncs_bas_1 + 1)/2 - endif +c endif if(num_bas_ij.eq.num_bas_2) then ish_b=ncs_bas_1+1 ish_e=ncs_bas_2 @@ -72,13 +72,13 @@ c ij ij_shell=n_shell*(n_shell+1)/2 endif c kl - if(num_bas_kl.eq.num_bas_1) then +c if(num_bas_kl.eq.num_bas_1) then ! take care of compiler warnings ksh_b=1 ksh_e=ncs_bas_1 lsh_b=1 lsh_e=ncs_bas_1 kl_shell=ncs_bas_1*(ncs_bas_1 + 1)/2 - endif +c endif if(num_bas_kl.eq.num_bas_2) then ksh_b=ncs_bas_1+1 ksh_e=ncs_bas_2 @@ -398,13 +398,13 @@ c total number of cont.shell quartets : c (I 0 | K 0) c c ij - if(num_bas_ij.eq.num_bas_1) then +c if(num_bas_ij.eq.num_bas_1) then ! take care of compiler warnings ish_b=1 ish_e=ncs_bas_1 jsh_b=1 jsh_e=ncs_bas_1 ij_shell=ncs_bas_1 - endif +c endif if(num_bas_ij.eq.num_bas_2) then ish_b=ncs_bas_1+1 ish_e=ncs_bas_2 @@ -422,13 +422,13 @@ c ij ij_shell=n_shell endif c kl - if(num_bas_kl.eq.num_bas_1) then +c if(num_bas_kl.eq.num_bas_1) then ! take care of compiler warnings ksh_b=1 ksh_e=ncs_bas_1 lsh_b=1 lsh_e=ncs_bas_1 kl_shell=ncs_bas_1 - endif +c endif if(num_bas_kl.eq.num_bas_2) then ksh_b=ncs_bas_1+1 ksh_e=ncs_bas_2 @@ -678,13 +678,13 @@ c total number of cont.shell quartets : c (I 0 | K L) c c ij - if(num_bas_ij.eq.num_bas_1) then +c if(num_bas_ij.eq.num_bas_1) then ! take care of compiler warnings ish_b=1 ish_e=ncs_bas_1 jsh_b=1 jsh_e=ncs_bas_1 ij_shell=ncs_bas_1 - endif +c endif if(num_bas_ij.eq.num_bas_2) then ish_b=ncs_bas_1+1 ish_e=ncs_bas_2 @@ -694,13 +694,13 @@ c ij ij_shell=n_shell endif c kl - if(num_bas_kl.eq.num_bas_1) then +c if(num_bas_kl.eq.num_bas_1) then ! take care of compiler warnings ksh_b=1 ksh_e=ncs_bas_1 lsh_b=1 lsh_e=ncs_bas_1 kl_shell=ncs_bas_1*(ncs_bas_1 + 1)/2 - endif +c endif if(num_bas_kl.eq.num_bas_2) then ksh_b=ncs_bas_1+1 ksh_e=ncs_bas_2 @@ -930,13 +930,13 @@ c total number of cont.shell quartets : c (I J | K 0) c c ij - if(num_bas_ij.eq.num_bas_1) then +c if(num_bas_ij.eq.num_bas_1) then ! take care of compiler warnings ish_b=1 ish_e=ncs_bas_1 jsh_b=1 jsh_e=ncs_bas_1 ij_shell=ncs_bas_1*(ncs_bas_1+1)/2 - endif +c endif if(num_bas_ij.eq.num_bas_2) then ish_b=ncs_bas_1+1 ish_e=ncs_bas_2 @@ -946,13 +946,13 @@ c ij ij_shell=n_shell*(n_shell+1)/2 endif c kl - if(num_bas_kl.eq.num_bas_1) then +c if(num_bas_kl.eq.num_bas_1) then ! take care of compiler warnings ksh_b=1 ksh_e=ncs_bas_1 lsh_b=1 lsh_e=ncs_bas_1 kl_shell=ncs_bas_1 - endif +c endif if(num_bas_kl.eq.num_bas_2) then ksh_b=ncs_bas_1+1 ksh_e=ncs_bas_2 diff --git a/src/NWints/texas/texas_hf.F b/src/NWints/texas/texas_hf.F index f76375f204..02f6e37c94 100644 --- a/src/NWints/texas/texas_hf.F +++ b/src/NWints/texas/texas_hf.F @@ -4,7 +4,7 @@ * eri,leri,icf,jcf,kcf,lcf,integ_n0,labels, * more_int,blscr,l_blscr,zerotol,int_type) * -* $Id: texas_hf.F,v 1.34 1998-12-15 02:35:06 d3g681 Exp $ +* $Id: texas_hf.F,v 1.35 2000-10-25 22:50:07 windus Exp $ * implicit none #include "mafdecls.fh" @@ -1471,6 +1471,7 @@ c===================================================================== common /type_inited/ iforinit ! use here & in texas_face.F common /mem_max_min/ ispblx,maxme1,max_111,iforwhat c + irequest = 1 ! take care of compiler warnings if(int_type.eq.'scfd_int') then where='buff' irequest=1 diff --git a/src/atomscf/jacod.F b/src/atomscf/jacod.F index f498160559..3fd6b0027e 100644 --- a/src/atomscf/jacod.F +++ b/src/atomscf/jacod.F @@ -1,5 +1,5 @@ subroutine jacod(f,v,nb,nb1,nb2,nmin,nmax,big,jbig,maxao) -C$Id: jacod.F,v 1.4 2000-10-23 23:37:44 windus Exp $ +C$Id: jacod.F,v 1.5 2000-10-25 22:50:07 windus Exp $ implicit none c....................................................................... c f is the matrix to be diagonalized. f is stored triangular @@ -28,6 +28,8 @@ c ib = 0 iaa = 0 ibb = 0 + ieaa = 1 + ieab = 1 c if (nb.eq.1) then v(1) = 1.0d0 diff --git a/src/blas/double/dspr.f b/src/blas/double/dspr.f index c3f3a44705..3127ad9de5 100644 --- a/src/blas/double/dspr.f +++ b/src/blas/double/dspr.f @@ -1,6 +1,6 @@ SUBROUTINE DSPR ( UPLO, N, ALPHA, X, INCX, AP ) * -* $Id: dspr.f,v 1.3 1997-03-17 21:21:07 d3e129 Exp $ +* $Id: dspr.f,v 1.4 2000-10-25 22:50:08 windus Exp $ * * .. Scalar Arguments .. DOUBLE PRECISION ALPHA @@ -119,7 +119,9 @@ $ RETURN * * Set the start point in X if the increment is not unity. +* Added next line to take care of compiler warning. * + KX = 1 IF( INCX.LE.0 )THEN KX = 1 - ( N - 1 )*INCX ELSE IF( INCX.NE.1 )THEN diff --git a/src/blas/double/dsyr2.f b/src/blas/double/dsyr2.f index 70b3821d19..34c8e672a4 100644 --- a/src/blas/double/dsyr2.f +++ b/src/blas/double/dsyr2.f @@ -1,6 +1,6 @@ SUBROUTINE DSYR2 ( UPLO, N, ALPHA, X, INCX, Y, INCY, A, LDA ) * -* $Id: dsyr2.f,v 1.2 1997-03-17 21:21:22 d3e129 Exp $ +* $Id: dsyr2.f,v 1.3 2000-10-25 22:50:08 windus Exp $ * * .. Scalar Arguments .. DOUBLE PRECISION ALPHA @@ -140,7 +140,12 @@ * * Set up the start points in X and Y if the increments are not both * unity. +* The next 4 lines are to satisfy compiler warnings. * + JX = 1 + JY = 1 + KX = 1 + KY = 1 IF( ( INCX.NE.1 ).OR.( INCY.NE.1 ) )THEN IF( INCX.GT.0 )THEN KX = 1 diff --git a/src/blas/double/dtrmv.f b/src/blas/double/dtrmv.f index b6e26b6970..b70648639b 100644 --- a/src/blas/double/dtrmv.f +++ b/src/blas/double/dtrmv.f @@ -1,6 +1,6 @@ SUBROUTINE DTRMV ( UPLO, TRANS, DIAG, N, A, LDA, X, INCX ) * -* $Id: dtrmv.f,v 1.3 1997-03-17 21:21:30 d3e129 Exp $ +* $Id: dtrmv.f,v 1.4 2000-10-25 22:50:08 windus Exp $ * * .. Scalar Arguments .. INTEGER INCX, LDA, N @@ -151,7 +151,9 @@ * * Set up the start point in X if the increment is not unity. This * will be ( N - 1 )*INCX too small for descending loops. +* The next line is to satifsy compiler warnings. * + KX = 1 IF( INCX.LE.0 )THEN KX = 1 - ( N - 1 )*INCX ELSE IF( INCX.NE.1 )THEN diff --git a/src/blas/double/dtrsv.f b/src/blas/double/dtrsv.f index 5d936ec00f..7bd366f76c 100644 --- a/src/blas/double/dtrsv.f +++ b/src/blas/double/dtrsv.f @@ -1,6 +1,6 @@ SUBROUTINE DTRSV ( UPLO, TRANS, DIAG, N, A, LDA, X, INCX ) * -* $Id: dtrsv.f,v 1.2 1997-03-17 21:21:33 d3e129 Exp $ +* $Id: dtrsv.f,v 1.3 2000-10-25 22:50:08 windus Exp $ * * .. Scalar Arguments .. INTEGER INCX, LDA, N @@ -154,7 +154,9 @@ * * Set up the start point in X if the increment is not unity. This * will be ( N - 1 )*INCX too small for descending loops. +* The next line is to satisfy compiler warnings. * + KX = 1 IF( INCX.LE.0 )THEN KX = 1 - ( N - 1 )*INCX ELSE IF( INCX.NE.1 )THEN diff --git a/src/blas/double/zher2.f b/src/blas/double/zher2.f index 919f82d406..9a2e0e071e 100644 --- a/src/blas/double/zher2.f +++ b/src/blas/double/zher2.f @@ -1,6 +1,6 @@ SUBROUTINE ZHER2 ( UPLO, N, ALPHA, X, INCX, Y, INCY, A, LDA ) * -* $Id: zher2.f,v 1.2 1997-03-17 21:21:58 d3e129 Exp $ +* $Id: zher2.f,v 1.3 2000-10-25 22:50:08 windus Exp $ * * .. Scalar Arguments .. COMPLEX*16 ALPHA @@ -143,7 +143,12 @@ * * Set up the start points in X and Y if the increments are not both * unity. +* The next 4 lines are to satisfy compiler warnings. * + JX = 1 + JY = 1 + KX = 1 + KY = 1 IF( ( INCX.NE.1 ).OR.( INCY.NE.1 ) )THEN IF( INCX.GT.0 )THEN KX = 1 diff --git a/src/blas/double/ztrmv.f b/src/blas/double/ztrmv.f index 49bdbaad3c..d425b36854 100644 --- a/src/blas/double/ztrmv.f +++ b/src/blas/double/ztrmv.f @@ -1,6 +1,6 @@ SUBROUTINE ZTRMV ( UPLO, TRANS, DIAG, N, A, LDA, X, INCX ) * -* $Id: ztrmv.f,v 1.2 1997-03-17 21:22:10 d3e129 Exp $ +* $Id: ztrmv.f,v 1.3 2000-10-25 22:50:08 windus Exp $ * * .. Scalar Arguments .. INTEGER INCX, LDA, N @@ -152,7 +152,9 @@ * * Set up the start point in X if the increment is not unity. This * will be ( N - 1 )*INCX too small for descending loops. +* The next line is to satisfy compiler warnings. * + KX = 1 IF( INCX.LE.0 )THEN KX = 1 - ( N - 1 )*INCX ELSE IF( INCX.NE.1 )THEN diff --git a/src/blas/double/ztrsv.f b/src/blas/double/ztrsv.f index 1b486f4a9d..ba3dfa405b 100644 --- a/src/blas/double/ztrsv.f +++ b/src/blas/double/ztrsv.f @@ -1,6 +1,6 @@ SUBROUTINE ZTRSV ( UPLO, TRANS, DIAG, N, A, LDA, X, INCX ) * -* $Id: ztrsv.f,v 1.2 1997-03-17 21:22:14 d3e129 Exp $ +* $Id: ztrsv.f,v 1.3 2000-10-25 22:50:08 windus Exp $ * * .. Scalar Arguments .. INTEGER INCX, LDA, N @@ -155,7 +155,9 @@ * * Set up the start point in X if the increment is not unity. This * will be ( N - 1 )*INCX too small for descending loops. +* The next line is to satisfy compiler warnings. * + KX = 1 IF( INCX.LE.0 )THEN KX = 1 - ( N - 1 )*INCX ELSE IF( INCX.NE.1 )THEN diff --git a/src/ddscf/ao_replicated.F b/src/ddscf/ao_replicated.F index 91018728b5..d1cda6000a 100644 --- a/src/ddscf/ao_replicated.F +++ b/src/ddscf/ao_replicated.F @@ -1,7 +1,7 @@ subroutine ao_replicated(geom, basis, nfock, jfac, kfac, $ tol2e, oskel, vg_dens, vg_fock, asym) c -c $Id: ao_replicated.F,v 1.40 2000-10-23 15:51:39 windus Exp $ +c $Id: ao_replicated.F,v 1.41 2000-10-25 22:50:09 windus Exp $ c implicit none #include "mafdecls.fh" @@ -295,6 +295,9 @@ c integer nxtask external nxtask c + next = 1 ! take care of compiler warnings + incomplete_top = 0 +c if (oscfps) call pstat_on(ps_fock_2e) c oprint = util_print('ao_replicated',print_never) diff --git a/src/ddscf/fast/fastj.F b/src/ddscf/fast/fastj.F index 020f554351..0a22a8e483 100644 --- a/src/ddscf/fast/fastj.F +++ b/src/ddscf/fast/fastj.F @@ -1,6 +1,6 @@ subroutine fastj(rtdb, basis, g_dens, eps, data) * -* $Id: fastj.F,v 1.12 2000-10-23 15:51:43 windus Exp $ +* $Id: fastj.F,v 1.13 2000-10-25 22:50:09 windus Exp $ * implicit none #include "rtdb.fh" @@ -1269,6 +1269,10 @@ c call xlm_coeff_inv(lmax2,d,dinv) call dfill(35,0.0d0,obin,1) call dfill(35,0.0d0,tbin,1) +c + ngx = 1 ! get rid of compiler warnings + ngy = 1 + ngz = 1 c c Get the data c diff --git a/src/ddscf/fast/sint.f b/src/ddscf/fast/sint.f index 7a3f9a8096..c2c495ab66 100644 --- a/src/ddscf/fast/sint.f +++ b/src/ddscf/fast/sint.f @@ -1,5 +1,5 @@ * -* $Id: sint.f,v 1.2 1999-07-29 00:53:57 d3e129 Exp $ +* $Id: sint.f,v 1.3 2000-10-25 22:50:09 windus Exp $ * CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC C @@ -247,6 +247,7 @@ C FFTPACK 5.0 auxiliary routine C NL = N NF = 0 + NTRY = 0 J = 0 101 J = J + 1 IF (J-4) 102,102,103 diff --git a/src/ddscf/fast/vsint.f b/src/ddscf/fast/vsint.f index b90bf29294..a443352db1 100644 --- a/src/ddscf/fast/vsint.f +++ b/src/ddscf/fast/vsint.f @@ -1,6 +1,6 @@ SUBROUTINE VSINT(M,N,X,XT,MDIMX,WSAVE) * -* $Id: vsint.f,v 1.3 1999-07-29 00:53:58 d3e129 Exp $ +* $Id: vsint.f,v 1.4 2000-10-25 22:50:09 windus Exp $ * implicit double precision (a-h, o-z) C***BEGIN PROLOGUE VSINT @@ -966,6 +966,7 @@ C VRFFTPK, VERSION 1, AUGUST 1985 C DIMENSION WA(N) ,FAC(15) ,NTRYH(4) DATA NTRYH(1),NTRYH(2),NTRYH(3),NTRYH(4)/4,2,3,5/ + NTRY = 0 NL = N NF = 0 J = 0 diff --git a/src/dftgrad/dftg_beckew.F b/src/dftgrad/dftg_beckew.F index 248a5cd858..ad7d429dd5 100644 --- a/src/dftgrad/dftg_beckew.F +++ b/src/dftgrad/dftg_beckew.F @@ -4,7 +4,7 @@ . nq_orig,nq, & iandex) c -C $Id: dftg_beckew.F,v 1.11 2000-07-10 23:02:43 edo Exp $ +C $Id: dftg_beckew.F,v 1.12 2000-10-25 22:50:10 windus Exp $ c implicit none c @@ -50,6 +50,7 @@ C if (TOLL.lt.1000.) return C C see where ictr is in the reduced list C + ictr_reduc = 1 ! take care of compiler warnings do i = 1, bcenters if (iandex(i).eq.ictr(1))then ictr_reduc=i diff --git a/src/dftgrad/dftg_gridssw.F b/src/dftgrad/dftg_gridssw.F index 42000f9fcd..551c5050db 100644 --- a/src/dftgrad/dftg_gridssw.F +++ b/src/dftgrad/dftg_gridssw.F @@ -4,7 +4,7 @@ . ictr, nctrs_pruned, nq_orig,nq, , whichfunc,lscreen) c -C$Id: dftg_gridssw.F,v 1.5 2000-10-19 01:27:13 edo Exp $ +C$Id: dftg_gridssw.F,v 1.6 2000-10-25 22:50:10 windus Exp $ c implicit none logical grid_written @@ -50,7 +50,10 @@ c RE Stratmann, GE Scuseria, MJ Frisch, Chem Phys Lett 257, 213 (1996) c Evaluate Stratman space partitioning weight. Then, incorporate it c with weights from the single-center quadratures to form the total c multi-center quadrature weight. +c The following 2 lines are to satisfy compiler warnings. c + NN = 1 + iw = 0 asqrtpi=1d0/sqrt(4*datan(1d0)) call dfill(nq*3*nctrs_pruned, 0.d0, dzeta, 1) call dfill(nq, 0.d0, zeta, 1) diff --git a/src/fft/pfft1.0/fftpack/dradfg.F b/src/fft/pfft1.0/fftpack/dradfg.F index 3b2d7a5355..99780d8bb9 100644 --- a/src/fft/pfft1.0/fftpack/dradfg.F +++ b/src/fft/pfft1.0/fftpack/dradfg.F @@ -10,10 +10,10 @@ C**************************************************************** C subroutine dradfg (ido,ip,l1,idl1,cc,c1,c2,ch,ch2,wa) * -* $Id: dradfg.F,v 1.7 2000-10-23 15:51:52 windus Exp $ +* $Id: dradfg.F,v 1.8 2000-10-25 22:50:10 windus Exp $ * * -* $Id: dradfg.F,v 1.7 2000-10-23 15:51:52 windus Exp $ +* $Id: dradfg.F,v 1.8 2000-10-25 22:50:10 windus Exp $ * double precision cc(ido,ip,l1), c1(ido,l1,ip), c2(idl1,ip), 1 ch(ido,l1,ip), ch2(idl1,ip), wa(1), ai1, ai2, ar1, ar1h, ar2, @@ -135,6 +135,7 @@ c end do endif k5 = iand(max0(((l1 + 1 - j1)/2),0),3) + j4 = 0 ! take care of compiler warnings do k = 1, k5 j4 = 0 end do diff --git a/src/fft/pfft1.0/fftpack/drfti1.F b/src/fft/pfft1.0/fftpack/drfti1.F index 3ee607ea9f..449dda0dc5 100644 --- a/src/fft/pfft1.0/fftpack/drfti1.F +++ b/src/fft/pfft1.0/fftpack/drfti1.F @@ -1,6 +1,6 @@ subroutine drfti1 (n,wa,ifac) * -* $Id: drfti1.F,v 1.3 1997-11-04 10:07:31 d3e129 Exp $ +* $Id: drfti1.F,v 1.4 2000-10-25 22:50:10 windus Exp $ * double precision wa(1), arg, argh, argld, fi, tpi integer ifac(1), ntryh(4) @@ -10,6 +10,7 @@ c nl = n nf = 0 j = 0 + ntry = 4 ! take care of compiler warning c 101 j = j+1 if (j.le.4) ntry = ntryh(j) diff --git a/src/fft/pfft1.0/pfft/mcfftr.F b/src/fft/pfft1.0/pfft/mcfftr.F index 357d0d0abb..f3969ad2d4 100644 --- a/src/fft/pfft1.0/pfft/mcfftr.F +++ b/src/fft/pfft1.0/pfft/mcfftr.F @@ -1,5 +1,5 @@ * -* $Id: mcfftr.F,v 1.2 1997-11-04 10:07:41 d3e129 Exp $ +* $Id: mcfftr.F,v 1.3 2000-10-25 22:50:10 windus Exp $ * *====================================================================== * @@ -56,6 +56,8 @@ NOTFST = .FALSE. + JOUT = 1 ! satisfy compiler warnings + DO 500 I2 = 1, NSETS JIN = 1 + (I2 - 1) * 2 * N1 * N2 diff --git a/src/fft/pfft1.0/pfft/mrfftr.F b/src/fft/pfft1.0/pfft/mrfftr.F index f9d705aff6..c03725db58 100644 --- a/src/fft/pfft1.0/pfft/mrfftr.F +++ b/src/fft/pfft1.0/pfft/mrfftr.F @@ -1,5 +1,5 @@ * -* $Id: mrfftr.F,v 1.2 1997-11-04 10:07:42 d3e129 Exp $ +* $Id: mrfftr.F,v 1.3 2000-10-25 22:50:10 windus Exp $ * *====================================================================== * @@ -63,6 +63,8 @@ NOTFST = .FALSE. + JOUT = 1 ! satisfy compiler warnings + DO 500 I2 = 1, NSETS JIN = 1 + (I2 - 1) * N1 * N2 diff --git a/src/fft/pfft1.0/pfft/wrkspc2.F b/src/fft/pfft1.0/pfft/wrkspc2.F index 5279a84542..d9169daf59 100644 --- a/src/fft/pfft1.0/pfft/wrkspc2.F +++ b/src/fft/pfft1.0/pfft/wrkspc2.F @@ -1,5 +1,5 @@ * -* $Id: wrkspc2.F,v 1.6 2000-01-31 19:26:41 d3g270 Exp $ +* $Id: wrkspc2.F,v 1.7 2000-10-25 22:50:11 windus Exp $ * *====================================================================== * @@ -86,6 +86,7 @@ c 20 CONTINUE c c + nelebk = 2*n1 ! satisfy compiler warnings if ( job .eq. 1 ) then nelebk = 2*n1 m2 = n2 diff --git a/src/inp/inp.F b/src/inp/inp.F index a065636653..8564ba9485 100644 --- a/src/inp/inp.F +++ b/src/inp/inp.F @@ -1,5 +1,5 @@ block data inp_data -C$Id: inp.F,v 1.38 2000-08-02 01:23:20 bjohnson Exp $ +C$Id: inp.F,v 1.39 2000-10-25 22:50:11 windus Exp $ implicit none #include "inpP.fh" c @@ -155,6 +155,8 @@ c character*1 xtest c ois_ws(xtest) = (xtest.eq.xblnk .or. xtest.eq.xtab) +c + inp_read = .false. ! First assume things will not work c c 1 nline=nline+1 diff --git a/src/lapack/double/dbdsqr.f b/src/lapack/double/dbdsqr.f index d1bd2fa87e..1096b0092c 100644 --- a/src/lapack/double/dbdsqr.f +++ b/src/lapack/double/dbdsqr.f @@ -16,7 +16,7 @@ * .. * c -* $Id: dbdsqr.f,v 1.3 1997-03-17 21:23:09 d3e129 Exp $ +* $Id: dbdsqr.f,v 1.4 2000-10-25 22:50:11 windus Exp $ c * Purpose * ======= @@ -324,6 +324,8 @@ c $ D( M ) = ZERO SMAX = ABS( D( M ) ) SMIN = SMAX +* The following line is to get rid of compiler warnings. + LL = 0 DO 60 LLL = 1, M LL = M - LLL IF( LL.EQ.0 ) @@ -380,7 +382,9 @@ c * * If working on new submatrix, choose shift direction * (from larger end diagonal element towards smaller) +* The following line is to take care of compiler warnings. * + IDIR = 2 IF( LL.GT.OLDM .OR. M.LT.OLDLL ) THEN IF( ABS( D( LL ) ).GE.ABS( D( M ) ) ) THEN * diff --git a/src/lapack/double/dgesvd.f b/src/lapack/double/dgesvd.f index d01aa1c009..44b393de35 100644 --- a/src/lapack/double/dgesvd.f +++ b/src/lapack/double/dgesvd.f @@ -16,7 +16,7 @@ * .. * c -* $Id: dgesvd.f,v 1.3 1997-03-17 21:23:24 d3e129 Exp $ +* $Id: dgesvd.f,v 1.4 2000-10-25 22:50:11 windus Exp $ c * Purpose * ======= @@ -204,7 +204,11 @@ c * as well as the preferred amount for good performance. * NB refers to the optimal block size for the immediately * following subroutine, as returned by ILAENV.) +* The following 2 lines are to take care of compiler warnings. * + BDSPAC = 3*N + MAXWRK = 1 + WRKBL = 1 IF( INFO.EQ.0 .AND. LWORK.GE.1 .AND. M.GT.0 .AND. N.GT.0 ) THEN IF( M.GE.N ) THEN * @@ -590,6 +594,8 @@ c CALL DLASCL( 'G', 0, 0, ANRM, BIGNUM, M, N, A, LDA, IERR ) END IF * +* The following line is to take care of compiler warnings. + IE = 1 IF( M.GE.N ) THEN * * A has at least as many rows as columns. If A has sufficiently diff --git a/src/lapack/double/dlaruv.f b/src/lapack/double/dlaruv.f index d7ea0a6bab..1adacb010b 100644 --- a/src/lapack/double/dlaruv.f +++ b/src/lapack/double/dlaruv.f @@ -14,7 +14,7 @@ * .. * c -* $Id: dlaruv.f,v 1.3 1997-03-17 21:24:11 d3e129 Exp $ +* $Id: dlaruv.f,v 1.4 2000-10-25 22:50:11 windus Exp $ c * Purpose * ======= @@ -334,6 +334,13 @@ c I2 = ISEED( 2 ) I3 = ISEED( 3 ) I4 = ISEED( 4 ) +* +* The following lines are to take care of compiler warnings +* + IT1 = ISEED( 1 ) + IT2 = ISEED( 2 ) + IT3 = ISEED( 3 ) + IT4 = ISEED( 4 ) * DO 10 I = 1, MIN( N, LV ) * diff --git a/src/lapack/double/dorglq.f b/src/lapack/double/dorglq.f index b0dae0ff19..a56daa3511 100644 --- a/src/lapack/double/dorglq.f +++ b/src/lapack/double/dorglq.f @@ -13,7 +13,7 @@ * .. * c -* $Id: dorglq.f,v 1.3 1997-03-17 21:24:42 d3e129 Exp $ +* $Id: dorglq.f,v 1.4 2000-10-25 22:50:12 windus Exp $ c * Purpose * ======= @@ -140,6 +140,9 @@ c END IF END IF * +* The following line is to take care of compiler warnings. +* + KI = 1 IF( NB.GE.NBMIN .AND. NB.LT.K .AND. NX.LT.K ) THEN * * Use blocked code after the last block. diff --git a/src/lapack/double/dorgqr.f b/src/lapack/double/dorgqr.f index 34e4c4e844..6c8644dbd2 100644 --- a/src/lapack/double/dorgqr.f +++ b/src/lapack/double/dorgqr.f @@ -13,7 +13,7 @@ * .. * c -* $Id: dorgqr.f,v 1.3 1997-03-17 21:24:45 d3e129 Exp $ +* $Id: dorgqr.f,v 1.4 2000-10-25 22:50:12 windus Exp $ c * Purpose * ======= @@ -141,6 +141,9 @@ c END IF END IF * +* The following line is to take care of compiler warnings. +* + KI = 1 IF( NB.GE.NBMIN .AND. NB.LT.K .AND. NX.LT.K ) THEN * * Use blocked code after the last block. diff --git a/src/lapack/double/dorm2r.f b/src/lapack/double/dorm2r.f index 2478ce08d0..d667d2766f 100644 --- a/src/lapack/double/dorm2r.f +++ b/src/lapack/double/dorm2r.f @@ -15,7 +15,7 @@ * .. * c -* $Id: dorm2r.f,v 1.3 1997-03-17 21:24:50 d3e129 Exp $ +* $Id: dorm2r.f,v 1.4 2000-10-25 22:50:12 windus Exp $ c * Purpose * ======= @@ -163,6 +163,10 @@ c I3 = -1 END IF * +* The following 2 lines are to take care of compiler warnings. +* + IC = 1 + JC = 1 IF( LEFT ) THEN NI = N JC = 1 diff --git a/src/lapack/double/dorml2.f b/src/lapack/double/dorml2.f index f5e4c8683c..bc6e800f9e 100644 --- a/src/lapack/double/dorml2.f +++ b/src/lapack/double/dorml2.f @@ -15,7 +15,7 @@ * .. * c -* $Id: dorml2.f,v 1.3 1997-03-17 21:24:54 d3e129 Exp $ +* $Id: dorml2.f,v 1.4 2000-10-25 22:50:12 windus Exp $ c * Purpose * ======= @@ -163,6 +163,10 @@ c I3 = -1 END IF * +* The following 2 lines are to take care of compiler warnings. +* + IC = 1 + JC = 1 IF( LEFT ) THEN NI = N JC = 1 diff --git a/src/lapack/double/dormlq.f b/src/lapack/double/dormlq.f index 6f6284f1b3..48a02035c2 100644 --- a/src/lapack/double/dormlq.f +++ b/src/lapack/double/dormlq.f @@ -16,7 +16,7 @@ * .. * c -* $Id: dormlq.f,v 1.4 1997-03-17 21:24:56 d3e129 Exp $ +* $Id: dormlq.f,v 1.5 2000-10-25 22:50:12 windus Exp $ c * Purpose * ======= @@ -206,6 +206,10 @@ c I3 = -NB END IF * +* The following 2 lines are to take care of compiler warnings. +* + IC = 1 + JC = 1 IF( LEFT ) THEN NI = N JC = 1 diff --git a/src/lapack/double/dormqr.f b/src/lapack/double/dormqr.f index 2c05a2ccd6..93112a888d 100644 --- a/src/lapack/double/dormqr.f +++ b/src/lapack/double/dormqr.f @@ -16,7 +16,7 @@ * .. * c -* $Id: dormqr.f,v 1.4 1997-03-17 21:24:57 d3e129 Exp $ +* $Id: dormqr.f,v 1.5 2000-10-25 22:50:12 windus Exp $ c * Purpose * ======= @@ -205,6 +205,10 @@ c I3 = -NB END IF * +* The following 2 lines are to take care of compiler warnings. +* + IC = 1 + JC = 1 IF( LEFT ) THEN NI = N JC = 1 diff --git a/src/lapack/double/dsptrf.f b/src/lapack/double/dsptrf.f index 0e2d97bdd6..db9c8209e8 100644 --- a/src/lapack/double/dsptrf.f +++ b/src/lapack/double/dsptrf.f @@ -15,7 +15,7 @@ * .. * c -* $Id: dsptrf.f,v 1.3 1997-03-17 21:25:11 d3e129 Exp $ +* $Id: dsptrf.f,v 1.4 2000-10-25 22:50:12 windus Exp $ c * Purpose * ======= @@ -150,6 +150,10 @@ c * ALPHA = ( ONE+SQRT( SEVTEN ) ) / EIGHT * +* The following 2 lines are to take care of compiler warnings. +* + IMAX = 1 + KPC = 1 IF( UPPER ) THEN * * Factorize A as U*D*U' using the upper triangle of A diff --git a/src/lapack/double/zspr.f b/src/lapack/double/zspr.f index 76507d54ea..0afd97b2cc 100644 --- a/src/lapack/double/zspr.f +++ b/src/lapack/double/zspr.f @@ -1,6 +1,6 @@ SUBROUTINE ZSPR( UPLO, N, ALPHA, X, INCX, AP ) c -c $Id: zspr.f,v 1.1 2000-04-18 00:22:39 edo Exp $ +c $Id: zspr.f,v 1.2 2000-10-25 22:50:12 windus Exp $ c * * -- LAPACK auxiliary routine (version 3.0) -- @@ -123,7 +123,9 @@ c $ RETURN * * Set the start point in X if the increment is not unity. +* The following line is to take care of compiler warnings. * + KX = 1 IF( INCX.LE.0 ) THEN KX = 1 - ( N-1 )*INCX ELSE IF( INCX.NE.1 ) THEN diff --git a/src/lapack/double/zsptrf.f b/src/lapack/double/zsptrf.f index a84195963e..ea78fe475e 100644 --- a/src/lapack/double/zsptrf.f +++ b/src/lapack/double/zsptrf.f @@ -1,6 +1,6 @@ SUBROUTINE ZSPTRF( UPLO, N, AP, IPIV, INFO ) c -c $Id: zsptrf.f,v 1.1 2000-04-18 00:22:40 edo Exp $ +c $Id: zsptrf.f,v 1.2 2000-10-25 22:50:12 windus Exp $ c * * -- LAPACK routine (version 3.0) -- @@ -163,6 +163,10 @@ c * ALPHA = ( ONE+SQRT( SEVTEN ) ) / EIGHT * +* The following 2 lines are to take care of compiler warnings. +* + IMAX = 1 + KPC = 1 IF( UPPER ) THEN * * Factorize A as U*D*U' using the upper triangle of A diff --git a/src/lapack/double/zungqr.f b/src/lapack/double/zungqr.f index b0d0338e50..bd30aee297 100644 --- a/src/lapack/double/zungqr.f +++ b/src/lapack/double/zungqr.f @@ -13,7 +13,7 @@ * .. * c -* $Id: zungqr.f,v 1.2 1997-03-17 21:26:25 d3e129 Exp $ +* $Id: zungqr.f,v 1.3 2000-10-25 22:50:12 windus Exp $ c * Purpose * ======= @@ -141,6 +141,9 @@ c END IF END IF * +* The following line is to take care of compiler warnings. +* + KI = 1 IF( NB.GE.NBMIN .AND. NB.LT.K .AND. NX.LT.K ) THEN * * Use blocked code after the last block. diff --git a/src/moints/moints_aodisk.F b/src/moints/moints_aodisk.F index ee8e5ab084..0780b9067e 100644 --- a/src/moints/moints_aodisk.F +++ b/src/moints/moints_aodisk.F @@ -1,5 +1,5 @@ * -* $Id: moints_aodisk.F,v 1.20 1998-08-19 18:33:52 rg240 Exp $ +* $Id: moints_aodisk.F,v 1.21 2000-10-25 22:50:13 windus Exp $ * c c Set of routines to cache AO integrals for the 4-index @@ -1530,6 +1530,9 @@ c rp = 1 hdrp = 2 blkinfo(2) = 0 + ilen = 0 + jlen = 0 + 100 stat = eaf_read(fd, fptr, iorec, recbytes ) if (stat.eq.0) then fptr = fptr + recbytes diff --git a/src/nwdft/grid/grid_signf.F b/src/nwdft/grid/grid_signf.F index 00ad264053..4e627f288d 100644 --- a/src/nwdft/grid/grid_signf.F +++ b/src/nwdft/grid/grid_signf.F @@ -2,7 +2,7 @@ & xyz,xyzm,ctr_quad, rad_quad, & zprim, iandex,iatype_pt_chg) c -C$Id: grid_signf.F,v 1.4 2000-07-10 23:00:19 edo Exp $ +C$Id: grid_signf.F,v 1.5 2000-10-25 22:50:14 windus Exp $ c implicit none c @@ -102,6 +102,7 @@ c if (zmin*r_arg.lt.acc_sigf) then enddo 2001 continue enddo + ctr_out = 1 ! take care of compiler warnings do ictr = 1, mcenters_scr ic1=iandex(ictr) xyzm(1,ictr) = xyzm(1,ic1) diff --git a/src/nwdft/grid/grid_ssw.F b/src/nwdft/grid/grid_ssw.F index 9ce40e2b42..37413acc47 100644 --- a/src/nwdft/grid/grid_ssw.F +++ b/src/nwdft/grid/grid_ssw.F @@ -2,7 +2,7 @@ & nctrs_pruned, nq, & iscr, whichfunc) c -C$Id: grid_ssw.F,v 1.10 2000-06-08 02:06:28 edo Exp $ +C$Id: grid_ssw.F,v 1.11 2000-10-25 22:50:14 windus Exp $ c implicit none #include "cdft.fh" @@ -39,7 +39,10 @@ c RE Stratmann, GE Scuseria, MJ Frisch, Chem Phys Lett 257, 213 (1996) c Evaluate Stratman space partitioning weight. Then, incorporate it c with weights from the single-center quadratures to form the total c multi-center quadrature weight. -c +c The following 2 lines are to satisfy compiler warnings. +c + NN = 1 + iw = 0 if(whichfunc.eq.'ssf ') then ass=ass_ssf iw=0 diff --git a/src/nwdft/scf_dft/dft_mxspin_ovlp.F b/src/nwdft/scf_dft/dft_mxspin_ovlp.F index 72cbd288dc..5896a7aa78 100644 --- a/src/nwdft/scf_dft/dft_mxspin_ovlp.F +++ b/src/nwdft/scf_dft/dft_mxspin_ovlp.F @@ -1,6 +1,6 @@ Subroutine dft_mxspin_ovlp(basis, g_alpha, g_beta, g_tmp) -C$Id: dft_mxspin_ovlp.F,v 1.5 2000-10-23 15:52:41 windus Exp $ +C$Id: dft_mxspin_ovlp.F,v 1.6 2000-10-25 22:50:14 windus Exp $ Implicit none integer basis integer g_s ! overlap @@ -57,6 +57,7 @@ c c call ga_print(g_s) endif if(me.eq.0) then + jbig = 1 ! take care of compiler warnings do i = 1, nbf c c get row of g_s diff --git a/src/nwdft/so_dft/ga_compl.F b/src/nwdft/so_dft/ga_compl.F index 998626dac6..21df381f60 100644 --- a/src/nwdft/so_dft/ga_compl.F +++ b/src/nwdft/so_dft/ga_compl.F @@ -1,5 +1,5 @@ subroutine edo_diag_compl(g_ar, g_ac, g_vr, g_vc, eval) -c $Id: ga_compl.F,v 1.2 2000-04-18 00:31:12 edo Exp $ +c $Id: ga_compl.F,v 1.3 2000-10-25 22:50:14 windus Exp $ implicit none #include "mafdecls.fh" #include "global.fh" @@ -246,6 +246,7 @@ c c write(0,*) ' k eval ',k,eval(k) enddo istart=0 + imazz = 2 ! take care of compiler warnings do k = 1,n loop1=.false. if(int_mb(-1+adrmz+k).eq.myproc) loop1=.true. diff --git a/src/nwdft/xc/xc_eval_fnl.F b/src/nwdft/xc/xc_eval_fnl.F index 4983080d76..75c214f643 100644 --- a/src/nwdft/xc/xc_eval_fnl.F +++ b/src/nwdft/xc/xc_eval_fnl.F @@ -9,7 +9,7 @@ c & nq, Ex, Ec, qwght, GRAD, ldew, func, & do_2nd) c -c $Id: xc_eval_fnl.F,v 1.17 2000-07-27 16:22:27 bjohnson Exp $ +c $Id: xc_eval_fnl.F,v 1.18 2000-10-25 22:50:14 windus Exp $ c implicit none c @@ -67,6 +67,9 @@ c C C hcth , becke97s functionals C + nx = 4 ! take care of compiler warnings + nc = 13 + dohcth=.false. if (abs(xfac(4)).gt.eps.or.abs(cfac(13)).gt.eps)then whichf='hcth' diff --git a/src/nwdft/xc/xc_hcth.F b/src/nwdft/xc/xc_hcth.F index 015b4cc9ee..2e9012b8b6 100644 --- a/src/nwdft/xc/xc_hcth.F +++ b/src/nwdft/xc/xc_hcth.F @@ -3,7 +3,7 @@ & Amat, Cmat, nq, ipol, Ex, Ec, qwght, & ldew,func,funcname) c -c$Id: xc_hcth.F,v 1.16 2000-07-21 20:40:42 edo Exp $ +c$Id: xc_hcth.F,v 1.17 2000-10-25 22:50:15 windus Exp $ c Implicit none c @@ -316,6 +316,7 @@ C Initialise IF (rhoa .LT. tol_rho.and.rhob.lt.tol_rho) RETURN Cfah numerical cutoff: if the density is too low, its contribution is Cfah neglectable. + nofunc = 1 ! take care of compiler warnings do n=1,numfunc if(functional.eq.funcnam(n)) nofunc=n enddo diff --git a/src/selci/stool.F b/src/selci/stool.F index 1db446dd5d..d635612cf4 100644 --- a/src/selci/stool.F +++ b/src/selci/stool.F @@ -2,7 +2,7 @@ & nroot,irange,nrange,iwpt, & noconfi,ioconf,nintpo,nconmx,ncold) * -* $Id: stool.F,v 1.6 1997-10-31 23:42:29 d3e129 Exp $ +* $Id: stool.F,v 1.7 2000-10-25 22:50:16 windus Exp $ * implicit real*8 (a-h,o-z), integer(i-n) c @@ -43,7 +43,11 @@ c node0 = pmap(0) c c check existence of file +c The following two lines are to take care of compiler warnings. c + ifile = 1 + idfile = 2 + if (me.eq.master) then icall = icall + 1 ifile = 1 diff --git a/src/stepper/stpr_partit.F b/src/stepper/stpr_partit.F index 6772e716fb..af76ed6e7a 100644 --- a/src/stepper/stpr_partit.F +++ b/src/stepper/stpr_partit.F @@ -4,7 +4,7 @@ & ATMASS, CMASS, TENIN, ENERGY, & CONVGE, CONVGG, CONVGGM, & NINTER, NMODE, RPATH, TRACK, BCKSTP) -c $Id: stpr_partit.F,v 1.8 1998-04-21 06:57:29 mdupuis Exp $ +c $Id: stpr_partit.F,v 1.9 2000-10-25 22:50:16 windus Exp $ c IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) LOGICAL TRACK, BCKSTP, RPATH, TROUB @@ -510,7 +510,10 @@ C ENDIF C C Find NMODE +C The following 2 lines are to satisfy compiler warnings. C + NMIN = 0 + NPLUS = 2 IF (TS.OR.STD) THEN ICOUNT = 0 DO 362 I = 1,NINTER diff --git a/src/symmetry/sym_sym.F b/src/symmetry/sym_sym.F index 9790dff97d..114870cb4b 100644 --- a/src/symmetry/sym_sym.F +++ b/src/symmetry/sym_sym.F @@ -1,5 +1,5 @@ subroutine sym_symmetrize(geom, basis, odensity, g_a) -C$Id: sym_sym.F,v 1.6 1997-11-07 01:45:19 d3e129 Exp $ +C$Id: sym_sym.F,v 1.7 2000-10-25 22:50:16 windus Exp $ implicit none #include "global.fh" #include "geom.fh" @@ -233,6 +233,7 @@ c else if (itype .eq. -1) then i_nbf_per_sh = 1 else + i_nbf_per_sh = 0 ! to get rid of compiler warning call errquit('sym_sym2: invalid shell type', itype) end if do jcn = jcnlo, jcnhi @@ -247,6 +248,7 @@ c else if (jtype .eq. -1) then j_nbf_per_sh = 1 else + j_nbf_per_sh = 0 ! to get rid of compiler warning call errquit('sym_sym2: invalid shell type', jtype) end if c diff --git a/src/util/ga_it_lsolve.F b/src/util/ga_it_lsolve.F index 04f695e52d..3bf1a5f1a8 100644 --- a/src/util/ga_it_lsolve.F +++ b/src/util/ga_it_lsolve.F @@ -1,6 +1,6 @@ logical function ga_iter_lsolve(n, maxiter, maxsub, tol, $ precond, product, ostall, oprint, g_b, g_soln, acc, iter) -C$Id: ga_it_lsolve.F,v 1.12 2000-10-23 16:24:09 windus Exp $ +C$Id: ga_it_lsolve.F,v 1.13 2000-10-25 22:50:16 windus Exp $ implicit none #include "global.fh" #include "mafdecls.fh" @@ -139,6 +139,7 @@ c call ga_precond_project(g_soln, zero, precond, g_w) end if c + converged = .false. ! get rid of compiler warning nsub = 1 ! Points to next free subspace vector do iter = 1, maxiter c