[gmx-users] Intel compiling failed

[Justin Lemkul]

On 4/5/13 6:38 AM, Carsten Kutzner wrote:
> Hi Albert,
>
> one reason for the error you see could be that you are using a non-Intel
> MPI compiler wrapper. I think you need to specify MPICC=mpiicc as well.
>

Is there any point in compiling FFTW in parallel?  I have never once done it nor 
found it necessary.

-Justin

> On Apr 5, 2013, at 12:25 PM, Albert <mailmd2011 at gmail.com> wrote:
>
>> Hello:
>>
>> I am trying to compile gromacs with intel compiler. However, it failed when I compile FFTW3 with command:
>>
>>
>> ./configure --enable-sse --enable-float --with-pic --enable-single --enable-static --enable-mpi --prefix=/home/albert/install/fftw-3.3.3 CC=icc CXX=icc F77=ifort
>>
>> here is the log file:
>>
>> mp.c:(.text+0x3148): undefined reference to `_intel_fast_memset'
>> ../libbench2/libbench2.a(mp.o):mp.c:(.text+0x3488): more undefined references to `_intel_fast_memset' follow
>> collect2: ld returned 1 exit status
>> make[3]: *** [mpi-bench] Error 1
>> make[3]: Leaving directory `/home/albert/install/00-source/fftw-3.3.3/mpi'
>> make[2]: *** [all] Error 2
>> make[2]: Leaving directory `/home/albert/install/00-source/fftw-3.3.3/mpi'
>> make[1]: *** [all-recursive] Error 1
>> make[1]: Leaving directory `/home/albert/install/00-source/fftw-3.3.3'
>>
>>
>> make: *** [all] Error 2
>>
>> thank you very much
>> best
>> Albert
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>
>
> --
> Dr. Carsten Kutzner
> Max Planck Institute for Biophysical Chemistry
> Theoretical and Computational Biophysics
> Am Fassberg 11, 37077 Goettingen, Germany
> Tel. +49-551-2012313, Fax: +49-551-2012302
> http://www.mpibpc.mpg.de/grubmueller/kutzner
> http://www.mpibpc.mpg.de/grubmueller/sppexa
>

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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