Re: [AMBER] error in parallel amber 11 installation

From: Asmita Gupta <asmita4des.gmail.com>
Date: Wed, 25 Apr 2012 14:01:00 +0530

I have run all the bugfixes as well as ./AT15_Amber11.py by hand. Also
installation of serial version was successfull.

The configuration command was:
./configure -mpi gnu

which mpif90 gives this:
/opt/mpich2-1.4.1p1/gcc/bin/mpif90. (so is it still a compiler problem??)

before giving the error message, make parallel was doing something like
this:

make[2]: Leaving directory
`/home/phd/09/mbuasmit/amber11/AmberTools/src/netcdf/src'
cp ../../include/*.mod .
cpp -traditional -P -DBINTRAJ -DMPI constants.f > _constants.f
mpif90 -c -O3 -ffree-form -o constants.o _constants.f
ifort: command line warning #10006: ignoring unknown option '-ffree-form'
_constants.f(89): error #5149: Illegal character in statement label field
 [m]
module constants
^
_constants.f(89): error #5149: Illegal character in statement label field
 [o]
module constants
-^
.
.
.I don't have any clue as to what it might be?

Asmita

On Tue, Apr 24, 2012 at 6:40 PM, Jason Swails <jason.swails.gmail.com>wrote:

> This can occur if you haven't applied all bug fixes (and you haven't run
> AT15_Amber11.py by hand).
>
> Make sure you apply all bug fixes, then reconfigure and recompile.
>
> HTH,
> Jason
>
> On Tue, Apr 24, 2012 at 8:41 AM, David A Case <case.biomaps.rutgers.edu
> >wrote:
>
> > On Tue, Apr 24, 2012, Asmita Gupta wrote:
> > >
> > > I am trying to install Amber 11 in parallel version. But when i am
> > running
> > > make parallel in $AMBERHOME/src, i am getting the following errors:
> > >
> > > _constants.f(89): error #5149: Illegal character in statement label
> field
> > > [m]
> > > module constants
> >
> > It looks like the compiler doesn't recognize that these files are free
> > format,
> > and it trying to interpret them as the old fixed format files.
> >
> > You don't say whether or not your were able to compile the serial code or
> > not,
> > but I'm going to assume that worked for you, since everyone should be
> > compiling serial before parallel (this may even have been required for
> > Amber11).
> >
> > Given that, I'm guessing(!?!) that there is some problem with your MPI
> > installation. What compiler are you using? What arguments did you pass
> > to the configure command? What you you see when you type "which mpif90"
> > and "mpif90 --show"?
> >
> > It is important that the mpif90 command be using the same compiler as you
> > told the configure program.
> >
> > At a minimum, report what the make program was doing *before* the error
> > messages, i.e. exactly what command it was executing.
> >
> > ...thx...dac
> >
> >
> > _______________________________________________
> > 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
>
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Received on Wed Apr 25 2012 - 02:00:03 PDT
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