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get rid of unitialized variable warnings

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This commit is contained in:
Theresa Windus 2000-10-25 22:50:16 +00:00
parent 5037722088
commit 91b7731aa1
63 changed files with 275 additions and 90 deletions
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9
src/NWints/api/int_2e4c.F
View file

@ -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

3
src/NWints/deriv/hf1d.F
View file

@ -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

3
src/NWints/deriv/hf2d.F
View file

@ -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

7
src/NWints/deriv/hf2d_2a.F
View file

@ -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

11
src/NWints/deriv/hf2d_2a2b.F
View file

@ -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

7
src/NWints/deriv/hf2d_2b.F
View file

@ -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

9
src/NWints/deriv/hf2d_3a.F
View file

@ -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

15
src/NWints/deriv/hf2d_3a2b.F
View file

@ -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

6
src/NWints/deriv/hf2d_all.F
View file

@ -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))

4
src/NWints/deriv/hfd3oi.F
View file

@ -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

14
src/NWints/ecp/ecp_gradient.F
View file

@ -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

7
src/NWints/int/hf1.F
View file

@ -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

4
src/NWints/int/hf1_er.F
View file

@ -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))

3
src/NWints/int/hf2.F
View file

@ -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

4
src/NWints/int/hf3OIs.f
View file

@ -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

5
src/NWints/int/hf3pot.F
View file

@ -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

6
src/NWints/texas/spec_block.F
View file

@ -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

34
src/NWints/texas/test_calc2.f
View file

@ -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

3
src/NWints/texas/texas_hf.F
View file

@ -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

4
src/atomscf/jacod.F
View file

@ -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

4
src/blas/double/dspr.f
View file

@ -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

7
src/blas/double/dsyr2.f
View file

@ -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

4
src/blas/double/dtrmv.f
View file

@ -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

4
src/blas/double/dtrsv.f
View file

@ -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

7
src/blas/double/zher2.f
View file

@ -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

4
src/blas/double/ztrmv.f
View file

@ -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

4
src/blas/double/ztrsv.f
View file

@ -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

5
src/ddscf/ao_replicated.F
View file

@ -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)

6
src/ddscf/fast/fastj.F
View file

@ -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

3
src/ddscf/fast/sint.f
View file

@ -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

3
src/ddscf/fast/vsint.f
View file

@ -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

3
src/dftgrad/dftg_beckew.F
View file

@ -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

5
src/dftgrad/dftg_gridssw.F
View file

@ -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)

5
src/fft/pfft1.0/fftpack/dradfg.F
View file

@ -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

3
src/fft/pfft1.0/fftpack/drfti1.F
View file

@ -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)

4
src/fft/pfft1.0/pfft/mcfftr.F
View file

@ -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

4
src/fft/pfft1.0/pfft/mrfftr.F
View file

@ -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

3
src/fft/pfft1.0/pfft/wrkspc2.F
View file

@ -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

4
src/inp/inp.F
View file

@ -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

6
src/lapack/double/dbdsqr.f
View file

@ -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
*

8
src/lapack/double/dgesvd.f
View file

@ -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

9
src/lapack/double/dlaruv.f
View file

@ -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 )
*

5
src/lapack/double/dorglq.f
View file

@ -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.

5
src/lapack/double/dorgqr.f
View file

@ -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.

6
src/lapack/double/dorm2r.f
View file

@ -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

6
src/lapack/double/dorml2.f
View file

@ -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

6
src/lapack/double/dormlq.f
View file

@ -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

6
src/lapack/double/dormqr.f
View file

@ -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

6
src/lapack/double/dsptrf.f
View file

@ -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

4
src/lapack/double/zspr.f
View file

@ -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

6
src/lapack/double/zsptrf.f
View file

@ -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

5
src/lapack/double/zungqr.f
View file

@ -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.

5
src/moints/moints_aodisk.F
View file

@ -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

3
src/nwdft/grid/grid_signf.F
View file

@ -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)

7
src/nwdft/grid/grid_ssw.F
View file

@ -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

3
src/nwdft/scf_dft/dft_mxspin_ovlp.F
View file

@ -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

3
src/nwdft/so_dft/ga_compl.F
View file

@ -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.

5
src/nwdft/xc/xc_eval_fnl.F
View file

@ -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'

3
src/nwdft/xc/xc_hcth.F
View file

@ -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

6
src/selci/stool.F
View file

@ -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

5
src/stepper/stpr_partit.F
View file

@ -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

4
src/symmetry/sym_sym.F
View file

@ -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

3
src/util/ga_it_lsolve.F
View file

@ -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