I managed to get access to an Intel 12 compiler and reproduce the
problem. The issue is with fftw3.h and icc pretending to be gcc. The
_float128 type is used in the header file but should only be read by gcc
4.6 or later. Since this type is used for quad precision and is not used
by any Amber code, the offending lines can be safely deleted. If you
wish to compile FFTW 3.3 with the Intel 12 compilers, delete lines 357
to 371 from $AMBERHOME/AmberTools/src/fftw-3.3/api/fftw3.h and reinstall.
This issue is addressed in FFTW 3.3.2, so an alternate solution is to
replace FFTW 3.3 with FFTW 3.3.2.
I will put together a patch to handle this problem.
Tyler
On 05/14/2012 03:07 PM, Mark Rance wrote:
> icc -V reports
>
> Intel(R) C Intel(R) 64 Compiler XE for applications running on Intel(R) 64,
> Version 12.1.3.293 Build 20120212
>
>
>
> On Sun, May 13, 2012 at 10:21 PM, Jason Swails<jason.swails.gmail.com>wrote:
>
>> This is an icc issue. What is the version of icc that you are using?
>>
>> (mdgx is a C code)
>>
>> --
>> Jason M. Swails
>> Quantum Theory Project,
>> University of Florida
>> Ph.D. Candidate
>> 352-392-4032
>>
>> On May 13, 2012, at 5:56 PM, Mark Rance<rancemd.gmail.com> wrote:
>>
>>> 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 Mon May 14 2012 - 14:00:03 PDT
