On 05/07/2012 08:10 AM, David A Case wrote:
> On Sun, May 06, 2012, Mark Rance wrote:
>> In attempting to compile amber 12 with the intel compilers, I encountered
>> the following error message:
>>
>> include/fftw3.h(370): error: identifier "__float128" is undefined
>> FFTW_DEFINE_API(FFTW_MANGLE_QUAD, __float128, fftwq_complex)
> This sounds like the following problem, which is fixed in the latest version
> (3.3.2) of fftw3:
>
> * Fix incompatibility with Intel icc which pretends to be gcc
> but does not support quad precision.
>
> What I don't quite understand is that we tested the code with Intel 12.1.0
> and 12.1.1; we need to find out if the problem is really unique to 12.1.2, or
> whether some other problem is popping up.
>
>
Hi Mark,
We've tested FFTW 3.3 with Intel compilers 12.1.0 and 12.1.3 and have
not seen any problems. There are a few possible solutions to your
problem though.
1) -nofftw3. If you don't need RISM, MDGX or the FFT solver for PBSA
you can skip compiling FFTW 3 completely by adding -nofftw3 to the
configure command. FFTW 3 is not used by any other programs.
2) If you need FFTW 3, you can consider downloading FFTW 3.3.2 and
replacing FFTW 3.3 in you AmberTools/src directory. Be sure to rename
fftw-3.3.2/ to fftw-3.3/. If you are encountering the compiler bug
identified by the FFTW developers, this should solve the problem.
3) Tells us more about your configure command and if you have made any
modifications. AFAIK, quad precision FFTW should not be built by
default so it is unclear why you are getting that error.
Tyler
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Received on Fri May 11 2012 - 08:30:04 PDT
