Re: [AMBER-Developers] First AmberTools release candidate

From: Tyler Luchko <tluchko.rci.rutgers.edu>
Date: Tue, 16 Mar 2010 19:40:04 -0400

On 03/16/2010 06:10 PM, case wrote:
> On Tue, Mar 16, 2010, Volodymyr Babin wrote:

>> then it stopped again with
>>
>> if [ "/gpfs_share/vbabin/amber11/lib/libfftw2xf_intel.a" =
>> '/gpfs_share/vbabin/amber11/lib/libfftw2xf_intel.a' ]; then\
>> cd /usr/local/intel/mkl91023//interfaces/fftw2xf&& make libi686 \
>> compiler=intel PRECISION=MKL_DOUBLE \
>> INSTALL_DIR=/gpfs_share/vbabin/amber11/lib; \
>> else \
>> cd ../fftw-2.1.5&& make install; \
>> fi
>> make[2]: Entering directory `/usr/local/intel/mkl91023/interfaces/fftw2xf'
>
> I'm guessing that Tyler didn't ever test the MKL/fftw interface on old
> MKL libraries with 32-bit machines.
>>
>> and I decided to stop with intel+mkl; will try gnu on the same machine
>> tonight
>
> Better: try intel without mkl. If you didn't already do so, try adding
> "-oldmkl" to configure. But I suspect we may still have problems with using
> the MKL wrappers to fftw.

Ok, I think I have a solution to this in the attached patch. I'm now
following the code in the configure script that sets $mkll. From what I
have been able to google, I think this will also work for older versions
of MKL as well (I only have access to version 11.x).

Tyler



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Received on Tue Mar 16 2010 - 17:00:02 PDT
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