Re: [AMBER] problem installing AMBER12 on MacOSX

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 14 May 2012 08:38:25 -0700

Just to check, then, what does

gcc --version
gfortran --version

return?

On Mon, May 14, 2012 at 8:23 AM, Robert Oswald <robert.oswald.gmail.com>wrote:

> Jason,
> As far as I know I am using the exact compilers in the example on the wiki:
>
> port select --list gcc
> Available versions for gcc:
> gcc42
> llvm-gcc42
> mp-gcc44 (active)
> none
>
> I have applied the bugfix to AmberTools as you suggested.
> Robert
>
> On Mon, May 14, 2012 at 11:11 AM, Jason Swails <jason.swails.gmail.com
> >wrote:
>
> > What version of the GNU compilers are you using?
> >
> > My suggestion is to use the exact compilers used in the example on the
> wiki
> > you were following.
> >
> > Also, the real8 problem should have been fixed by a bugfix to AmberTools.
> > Please check that you have all bugfixes applied. (Since you applied one
> by
> > hand, use the command:
> >
> > ./patch_amber.py --update --ignore-fails
> > )
> >
> > HTH,
> > Jason
> >
> > On Mon, May 14, 2012 at 8:06 AM, Robert Oswald <robert.oswald.gmail.com
> > >wrote:
> >
> > > I am trying to install AmberTools12 and Amber12 on Mac OS X (10.7.3)
> > > following exactly the procedure described in:
> > >
> > > http://jswails.wikidot.com/installing-amber12-and-ambertools-12
> > >
> > > I had no problem installing AmberTools12 alone (except for having to
> fix
> > > the real8 problem in psfprm.F90). Installing with Amber 12, I have run
> > into
> > > the following issue:
> > >
> > > gfortran -DBINTRAJ -c -O3 -mtune=native -ffree-form
> > > -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm
> > > -I../../AmberTools/src/rism -I../../include
> > > -I/Users/reo1/Documents/amber12/include
> > > -I/Users/reo1/Documents/amber12/include -o bintraj.o bintraj.F90
> > > bintraj.F90:119.27:
> > >
> > > call checkNCerror(nf90_put_att(vel_ncid, VelocVarID,
> > > "scale_factor", &
> > > 1
> > > Error: Generic function 'nf90_put_att' at (1) is not consistent with a
> > > specific intrinsic interface
> > > make[2]: *** [bintraj.o] Error 1
> > > make[1]: *** [serial] Error 2
> > > make: *** [install] Error 2
> > >
> > > I'd be grateful for any help in resolving this problem.
> > > Thanks,
> > > Robert Oswald
> > >
> > >
> > > --
> > > ********************************************
> > > Robert Oswald
> > > Department of Molecular Medicine
> > > Cornell University
> > > Ithaca, NY 14850
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> >
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> ********************************************
> Robert Oswald
> Department of Molecular Medicine
> Cornell University
> Ithaca, NY 14850
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon May 14 2012 - 09:00:04 PDT
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