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some gfortran warning fixes
author
Dawid Jagiela
<lightnir@chem.univ.gda.pl>
Fri, 23 Nov 2012 10:09:52 +0000
(11:09 +0100)
committer
Dawid Jagiela
<lightnir@chem.univ.gda.pl>
Fri, 23 Nov 2012 10:12:56 +0000
(11:12 +0100)
source/cluster/unres/src/geomout.F
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source/unres/src_MD/MD_A-MTS.F
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source/unres/src_MD/energy_p_new_barrier.F
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source/unres/src_MD/local_move.f
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source/unres/src_MD/mcm.F
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source/unres/src_MD/stochfric.F
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source/unres/src_MIN/energy_p_new_barrier.F
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diff --git
a/source/cluster/unres/src/geomout.F
b/source/cluster/unres/src/geomout.F
index
12aae7a
..
8fa5a0e
100644
(file)
--- a/
source/cluster/unres/src/geomout.F
+++ b/
source/cluster/unres/src/geomout.F
@@
-163,7
+163,7
@@
c if (nvar.gt.nphi+ntheta) then
write (igeom,200) (rad2deg*omeg(i),i=2,nres-1)
c endif
close(igeom)
write (igeom,200) (rad2deg*omeg(i),i=2,nres-1)
c endif
close(igeom)
- 180 format (I5,F12.3,I2,$,8(1X,2I3,$))
+ 180 format (I5,F12.3,I2,8(1X,2I3,$))
190 format (3X,11(1X,2I3,$))
200 format (8F10.4)
return
190 format (3X,11(1X,2I3,$))
200 format (8F10.4)
return
diff --git
a/source/unres/src_MD/MD_A-MTS.F
b/source/unres/src_MD/MD_A-MTS.F
index
acbffa9
..
d4d6be6
100644
(file)
--- a/
source/unres/src_MD/MD_A-MTS.F
+++ b/
source/unres/src_MD/MD_A-MTS.F
@@
-1857,7
+1857,7
@@
c Removing the velocity of the center of mass
call chainbuild_cart
call kinetic(EK)
if (tbf) then
call chainbuild_cart
call kinetic(EK)
if (tbf) then
- call verlet_bath(EK)
+ call verlet_bath
endif
kinetic_T=2.0d0/(dimen3*Rb)*EK
if(me.eq.king.or..not.out1file)then
endif
kinetic_T=2.0d0/(dimen3*Rb)*EK
if(me.eq.king.or..not.out1file)then
diff --git
a/source/unres/src_MD/energy_p_new_barrier.F
b/source/unres/src_MD/energy_p_new_barrier.F
index
981a461
..
07445bc
100644
(file)
--- a/
source/unres/src_MD/energy_p_new_barrier.F
+++ b/
source/unres/src_MD/energy_p_new_barrier.F
@@
-8187,7
+8187,7
@@
c----------------------------------------------------------------------------
include 'COMMON.GEO'
logical swap
double precision vv(2),pizda(2,2),auxmat(2,2),auxvec(2),
include 'COMMON.GEO'
logical swap
double precision vv(2),pizda(2,2),auxmat(2,2),auxvec(2),
- & auxvec1(2),auxvec2(1),auxmat1(2,2)
+ & auxvec1(2),auxvec2(2),auxmat1(2,2)
logical lprn
common /kutas/ lprn
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
logical lprn
common /kutas/ lprn
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
diff --git
a/source/unres/src_MD/local_move.f
b/source/unres/src_MD/local_move.f
index
d02a9d1
..
7a7e125
100644
(file)
--- a/
source/unres/src_MD/local_move.f
+++ b/
source/unres/src_MD/local_move.f
@@
-129,7
+129,7
@@
c$$$ endif
c$$$ endif
c The actual move, on residue i
c$$$ endif
c The actual move, on residue i
- iretcode=move_res(min,max,i,c) ! Discard iretcode
+ iretcode=move_res(min,max,i) ! Discard iretcode
i=i+1
if (i.le.j) then
i=i+1
if (i.le.j) then
@@
-150,7
+150,7
@@
c$$$ endif
c$$$ endif
c The actual move, on residue j
c$$$ endif
c The actual move, on residue j
- iretcode=move_res(min,max,j,c) ! Discard iretcode
+ iretcode=move_res(min,max,j) ! Discard iretcode
j=j-1
endif
enddo
j=j-1
endif
enddo
@@
-960,7
+960,9
@@
c print *,'NO MOVES FOUND, BEST PHI IS',phi*rad2deg
R(j,i)=vbl*R(j,i)
enddo
enddo
R(j,i)=vbl*R(j,i)
enddo
enddo
- i=move_res(R(0,1),0.D0*deg2rad,180.D0*deg2rad)
+c i=move_res(R(0,1),0.D0*deg2rad,180.D0*deg2rad)
+ imov=nnt
+ i=move_res(0.D0*deg2rad,180.D0*deg2rad,imov)
print *,'RETURNED ',i
print *,(R(i,3)/vbl,i=0,2)
print *,'RETURNED ',i
print *,(R(i,3)/vbl,i=0,2)
diff --git
a/source/unres/src_MD/mcm.F
b/source/unres/src_MD/mcm.F
index
79e567b
..
d9ca9ad
100644
(file)
--- a/
source/unres/src_MD/mcm.F
+++ b/
source/unres/src_MD/mcm.F
@@
-301,7
+301,7
@@
C--------------------------------------------------------------------------
if (WhatsUp.eq.0 .and. Kwita.eq.0) then
call metropolis(nvar,varia,varold,etot,eold,accepted,
if (WhatsUp.eq.0 .and. Kwita.eq.0) then
call metropolis(nvar,varia,varold,etot,eold,accepted,
- & my_conf,EneLower,it)
+ & my_conf,EneLower)
endif
write (iout,*) 'My_Conf=',My_Conf,' EneLower=',EneLower
if (accepted) then
endif
write (iout,*) 'My_Conf=',My_Conf,' EneLower=',EneLower
if (accepted) then
diff --git
a/source/unres/src_MD/stochfric.F
b/source/unres/src_MD/stochfric.F
index
85c171f
..
74eda61
100644
(file)
--- a/
source/unres/src_MD/stochfric.F
+++ b/
source/unres/src_MD/stochfric.F
@@
-556,7
+556,7
@@
c
include 'COMMON.INTERACT'
include 'COMMON.IOUNITS'
include 'COMMON.NAMES'
include 'COMMON.INTERACT'
include 'COMMON.IOUNITS'
include 'COMMON.NAMES'
- double precision radius(maxres2),gamvec(maxres6)
+ double precision radius(maxres2),gamvec(maxres2)
parameter (twosix=1.122462048309372981d0)
logical lprn /.false./
c
parameter (twosix=1.122462048309372981d0)
logical lprn /.false./
c
diff --git
a/source/unres/src_MIN/energy_p_new_barrier.F
b/source/unres/src_MIN/energy_p_new_barrier.F
index
3fcf739
..
96df440
100644
(file)
--- a/
source/unres/src_MIN/energy_p_new_barrier.F
+++ b/
source/unres/src_MIN/energy_p_new_barrier.F
@@
-8007,7
+8007,7
@@
c----------------------------------------------------------------------------
include 'COMMON.GEO'
logical swap
double precision vv(2),pizda(2,2),auxmat(2,2),auxvec(2),
include 'COMMON.GEO'
logical swap
double precision vv(2),pizda(2,2),auxmat(2,2),auxvec(2),
- & auxvec1(2),auxvec2(1),auxmat1(2,2)
+ & auxvec1(2),auxvec2(2),auxmat1(2,2)
logical lprn
common /kutas/ lprn
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
logical lprn
common /kutas/ lprn
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC