[gmx-users] Gromacs 3.3.1 MPI/Itanium 2 fails to build

[Erik Lindahl]

Hi Matt,

For reference, please try:

gcc, without mpi
icc, without mpi

If those two also fail, go to src/gmxlib/nonbonded/ 
nb_kernel_ia64_single and issue "make nb_kernel010_ia64_single.lo" to  
see what happens.

My first guess would be that the mpicc wrapper scripts are broken and  
don't handle assembly files correctly. In that case you might have to  
link in the MPI libraries manually - check the FAQ.

Cheers,

Erik

On Apr 25, 2006, at 12:54 AM, mernst at tricity.wsu.edu wrote:

> Yes, I did make distclean before configuring with MPI enabled.
>
> Matt Ernst
> Washington State University
>
>> mernst at tricity.wsu.edu a écrit :
>>> Hello,
>>>
>>> I have successfully built Gromacs 3.3.1 under Linux/Itanium 2  
>>> with the following
>>> configure options:
>>>
>>> ./configure -with-fft=fftw3 --without-x --prefix=$HOME/gmx331
>>>
>>> When I enable MPI, the build fails:
>>>
>>> ./configure -with-fft=fftw3 --without-x --prefix=$HOME/gmx331 -- 
>>> enable-mpi;make
>>>
>>>
>>
>> Have you made a make clean (or make distclean) before doing the  
>> second
>> configure ? If not, its the way to try first :-)
>>
>> Stéphane
>> --
>> Stéphane Téletchéa, PhD.                  http://www.steletch.org
>> Unité Mathématique Informatique et Génome http:// 
>> migale.jouy.inra.fr/mig
>> INRA, Domaine de Vilvert                  Tél : (33) 134 652 891
>> 78352 Jouy-en-Josas cedex, France         Fax : (33) 134 652 901
>
>
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