Re: [AMBER] Amber 12 Installation errors relevant to fftw3

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 25 Apr 2012 20:37:50 -0400

The configure script should have printed out an error message if you tried using these compilers. Did you modify the configure script?

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On Apr 25, 2012, at 8:23 PM, Shulin Zhuang <shulin.zhuang.gmail.com> wrote:
> Dear David Case,
> 
> Following your suggestions ,I got the same information using gcc -v and
> gfortran --v :
> 
> Using built-in specs.
> Target: x86_64-redhat-linux
> Configured with: ../configure --prefix=/usr --mandir=/usr/share/man
> --infodir=/usr/share/info --enable-shared --enable-threads=posix
> --enable-checking=release --with-system-zlib --enable-__cxa_atexit
> --disable-libunwind-exceptions --enable-libgcj-multifile
> --enable-languages=c,c++,objc,obj-c++,java,fortran,ada
> --enable-java-awt=gtk --disable-dssi --enable-plugin
> --with-java-home=/usr/lib/jvm/java-1.4.2-gcj-1.4.2.0/jre --with-cpu=generic
> --host=x86_64-redhat-linux
> Thread model: posix
> gcc version  4.1.2 20080704 (Red Hat 4.1.2-46)
> 
> 
> I re-configured it using the -nofftw3 and can successfully installed the
> serial and parallel version of amber 12.
> 
> Best regards
> Shulin
> 
> On Wed, Apr 25, 2012 at 8:12 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> 
>> On Wed, Apr 25, 2012, Shulin Zhuang wrote:
>> 
>>> I use gfortran.
>> 
>> It would still be very helpful if you could type "gfortran --v" and
>> "gcc -v" and report what the result is.
>> 
>>> 
>>> step 1:  ./configure gnu    this step is ok
>>> 
>>> step 2:make install             During this step lots of warning and
>> error.
>>> I just select several warnings and errors:
>> 
>> Warnings are not important.
>> 
>>> gfortran -DFFTW -DBINTRAJ   *-c -O3 -ffree-form
>>> *-I/home/hjkx/program/amber12//include
>>> -I/home/hjkx/program/amber12//include   *-o fftw3.o fftw3.F90*
>>> 
>>> error: sententce (1)  not defined  in file fftw3.f03:1732
>>> 
>>>    included in * fftw3.F90*:10
>>> 
>>>      type(C_PTR), value :: output_file
>> 
>> I suspect that your compiler does not support the ISO_C interface, but that
>> somehow the configuration script thought that it did.  This is why we
>> need version numbers.  It is also required that gcc and gfortran use the
>> same
>> version of the compilers.
>> 
>> A workaround (depending on your needs) is to re-configure using the
>> -nofftw3
>> flag.
>> 
>> ...dac
>> 
>> 
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>> http://lists.ambermd.org/mailman/listinfo/amber
>> 
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Received on Wed Apr 25 2012 - 18:00:05 PDT
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