You should make sure that $AMBERHOME/bin is in your PATH
(/usr/local/amber11/bin) before amber7. That way, the newest xleap will be
used. Alternatively, you could specify $AMBERHOME/bin/xleap on the command
line instead of just xleap.
Good luck!
Jason
On Wed, Sep 8, 2010 at 11:37 AM, Rossella Noschese <
noschese.rossella.gmail.com> wrote:
> you're right
> I typed which xleap and... this was the answer
> usr/local/bin/amber7/exe/xleap!! (noooooooooooooooo!!!)
> when I typed gfortran --version this was the output
> GNU Fortran 95 (GCC 4.0.0 20050519 (Red Hat 4.0.0-8))
> Copyright (C) 2005 Free Software Foundation, Inc.
>
> GNU Fortran comes with NO WARRANTY, to the extent permitted by law.
> You may redistribute copies of GNU Fortran
> under the terms of the GNU General Public License.
> For more information about these matters, see the file named COPYING
> I'm using Fedora Core release 4.
>
> thanx....
>
>
> 2010/9/8, case <case.biomaps.rutgers.edu>:
> >
> > On Wed, Sep 08, 2010, Rossella Noschese wrote:
> >
> >
> > > I separated the two directories amber7 and amber11 (they're now in
> > > usr/local/bin)
> > > I set AMBERHOME with this string in a [t]csh shell
> > > setenv AMBERHOME /usr/local/bin/amber11
> > > I set the path as follows:
> > > set path = ( $path $AMBERHOME/bin\:/usr/local/bin/amber7/exe )
> > > I run xleap
> >
> >
> > Since you have not yet compiled the amber11 stuff (I think, see below),
> you
> > are probably still trying to run the old amber7 version of xleap, but
> with
> > an
> > incorrect AMBERHOME variable. You could check this hypothesis by typing
> > "which xleap".
> >
> >
> > > (cd arpack && make install );
> > > make[1]: Entering directory
> > `/usr/local/bin/amber11/AmberTools/src/arpack'
> > > gfortran -c -O3 -o dsarpack.o dsarpack.f
> > > In file dsarpack.f:424
> > >
> > > 12 go to 11
> > > 1
> > > In file dsarpack.f:199
> > >
> > > go to (12,18) label
> > > 2
> > > Error: Label at (1) is not in the same block as the GOTO statement at
> (2)
> > > In file dsarpack.f:545
> > >
> > > 18 go to 17
> > > 1
> > > In file dsarpack.f:199
> > >
> > > go to (12,18) label
> > > 2
> > > Error: Label at (1) is not in the same block as the GOTO statement at
> (2)
> > > make[1]: *** [dsarpack.o] Error 1
> >
> >
> > Hmmm....I get the same output above, *except* that my gfortran compiler
> > says
> > "Warning" where yours says "Error", so my build continues. Can you tell
> > us the output from typing "gfortran --version", and also indicate what OS
> > you
> > are using?
> >
> > ...thanks...dac
> >
> >
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Sep 08 2010 - 10:00:05 PDT
