From: Dawid Jagiela <lightnir@chem.univ.gda.pl>
Date: Fri, 23 Nov 2012 10:09:52 +0000 (+0100)
Subject: some gfortran warning fixes
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=07eee9774e7767e29ff5209a4556ad3b1dc6a8f8

some gfortran warning fixes
---

diff --git a/source/cluster/unres/src/geomout.F b/source/cluster/unres/src/geomout.F
index 12aae7a..8fa5a0e 100644
--- 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)
-  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
diff --git a/source/unres/src_MD/MD_A-MTS.F b/source/unres/src_MD/MD_A-MTS.F
index acbffa9..d4d6be6 100644
--- 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 verlet_bath(EK)
+        call verlet_bath
       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
--- 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),
-     & auxvec1(2),auxvec2(1),auxmat1(2,2)
+     & auxvec1(2),auxvec2(2),auxmat1(2,2)
       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
--- 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
-        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
@@ -150,7 +150,7 @@ c$$$            endif
 c$$$          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
@@ -960,7 +960,9 @@ c      print *,'NO MOVES FOUND, BEST PHI IS',phi*rad2deg
           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)
 
diff --git a/source/unres/src_MD/mcm.F b/source/unres/src_MD/mcm.F
index 79e567b..d9ca9ad 100644
--- 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,
-     &                      my_conf,EneLower,it)
+     &                      my_conf,EneLower)
             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
--- 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'
-      double precision radius(maxres2),gamvec(maxres6)
+      double precision radius(maxres2),gamvec(maxres2)
       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
--- 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),
-     & auxvec1(2),auxvec2(1),auxmat1(2,2)
+     & auxvec1(2),auxvec2(2),auxmat1(2,2)
       logical lprn
       common /kutas/ lprn
 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC