Unfortunately I have to report that upgrading to the 12.1.3 version of the
intel compiler suite did not fix the problem (ifort -V reports:
Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on
Intel(R) 64, Version 12.1.3.293 Build 20120212
The error message on compiling amber12 (using the ./configure intel command
in a freshly untarred and unmodified copy of the amber12 software) remains
the same:
/home/rance/programs/amber/amber12/include/fftw3.h(370): error: identifier
"__float128" is undefined
FFTW_DEFINE_API(FFTW_MANGLE_QUAD, __float128, fftwq_complex)
^
compilation aborted for CompFrc.c (code 2)
make[2]: *** [CompFrc.o] Error 2
make[2]: Leaving directory
`/home/rance/programs/amber/amber12/AmberTools/src/mdgx'
make[1]: *** [serial] Error 2
make[1]: Leaving directory
`/home/rance/programs/amber/amber12/AmberTools/src'
make: *** [install] Error 2
(The initial error about __float128 is repeated a number of times before
the compilation is aborted).
So I will go back to using the -nofftw3 flag but will be happy to provide
any additional info or test any ideas.
On Fri, May 11, 2012 at 7:22 PM, Jason Swails <jason.swails.gmail.com>wrote:
> Is there any way you can upgrade to the 12.1.3 version of the compiler
> suite? That version worked just fine for me.
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
> On May 11, 2012, at 5:52 PM, Mark Rance <rancemd.gmail.com> wrote:
>
> > It is a home-built dual hex core (Intel processors) machine running
> Fedora
> > Core 15, 64-bit version
> > (uname -a gives 2.6.42.9-1.fc15.x86_64 #1 SMP Thu Mar 1 23:30:23 UTC 2012
> > x86_64 x86_64 x86_64 GNU/Linux)
> >
> > Mark
> >
> >
> >
> >
> > On Fri, May 11, 2012 at 4:07 PM, David A Case <case.biomaps.rutgers.edu
> >wrote:
> >
> >> On Fri, May 11, 2012, Mark Rance wrote:
> >>>
> >>> Regarding point 3 in your message, I had not done any modifications of
> >>> anything within the Amber12 code and configure scripts until the
> change I
> >>> mentioned above to get the -nofftw3 flag to work.
> >>
> >> Just a quick question: what is your operating system? is it a 32-bit or
> >> 64-bit
> >> version?
> >>
> >> ...thanks...dave
> >>
> >>
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Received on Sun May 13 2012 - 16:00:03 PDT
