Issue #10: Cray Fortran doesn't like how Peter wrote Fortran prints. …

…Disabling for now, since they are only used in Fortran program. But figure out later how to fix.

src/fortran/coord.f

@@ -21,8 +21,9 @@ SUBROUTINE MoveCM(Iout,Iprint,IAtom,mirror,isort,
       endif
 
       Do J=1,number_vertices
-        IM=IAtom(J)
-        if(Iprint.ne.0) Write(IOUT,1002),J,IM,El(IM),(Dist(I,J),I=1,3)
+         IM=IAtom(J)
+c       TODO: this breaks Cray ftn          
+c        if(Iprint.ne.0) Write(IOUT,1002),J,IM,El(IM),(Dist(I,J),I=1,3)
         AnumX=AnumX+Dist(1,J)
         AnumY=AnumY+Dist(2,J)
         AnumZ=AnumZ+Dist(3,J)
@@ -44,8 +45,9 @@ SUBROUTINE MoveCM(Iout,Iprint,IAtom,mirror,isort,
        IM=IAtom(J)
          Do I=1,3
           Dist(I,J)=Dist(I,J)-DistCM(I)
-         enddo
-       Write(IOUT,1002),J,IM,El(IM),(Dist(I,J),I=1,3)
+       enddo
+c       TODO: this breaks Cray ftn        
+c       Write(IOUT,1002),J,IM,El(IM),(Dist(I,J),I=1,3)
       enddo
 
 C     Calculate distance part of moment of inertia

src/fortran/opt.f

@@ -813,6 +813,7 @@ SUBROUTINE linmin3d(p,pcom,xi,xicom,fret,force,iopt,
       IMPLICIT REAL*8 (A-H,O-Z)
       REAL*8 p(NMAX*3),pcom(NMAX*3),xicom(NMAX*3),xi(NMAX*3)
       real*8 force(ffmaxdim)
+      integer iout(0)
       integer e_hh(2,3*number_vertices/2), e_hp(2,3*number_vertices/2),
      1  e_pp(2,3*number_vertices/2)
       integer a_h(3,3*number_vertices-60), a_p(3,60)

src/fortran/sphere.f

@@ -230,8 +230,9 @@ SUBROUTINE ProjectSphere(ipsphere,Iout,IAtom,
       enddo
 
       Do J=1,number_vertices
-       IM=IAtom(J)
-       Write(IOUT,1001),J,IM,El(IM),(Dist(I,J),I=1,3)
+         IM=IAtom(J)
+c       TODO: this breaks Cray ftn 
+c       Write(IOUT,1001),J,IM,El(IM),(Dist(I,J),I=1,3)
       enddo
 
 C Write out xyz file