[gmx-users] Intel compiling failed

[Carsten Kutzner]

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.

Carsten


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