[gmx-users] cross compiling gromacs

[David van der Spoel]

ganapathy senthilkumar wrote:
> dear gromacs users,
> I tried to cross-compile gromacs for powerpc on an intel x86           
> machine. i set the configure options as
> 
> export CPPFLAGS=-I/mnt/usr/local/include
> export LDFLAGS=-L/mnt/usr/local/lib
> 
> =>i had mounted another root file system(simulated) onto mnt.
> i ran the configure script with the following options.
> 
> ./configure  --prefix=/mnt/usr/local/  
> CC="/opt/sce/toolchain-2.3/ppu/bin/ppu-gcc -m32 -Wl,-m,elf32ppc"  
> --enable-portable-binary 
> CFLAGS=-L/home/murali/cell1.0.1/sysroot/usr/lib  --host=powerpc64-linux 
> RANLIB=/opt/sce/toolchain-2.3/ppu/bin/powerpc64-linux-ranlib
> 
> 
> on doing make i got the following error
> 
> ./mknb   -software_invsqrt
> ./mknb: ./mknb: cannot execute binary file
> make[5]: *** [kernel-stamp] Error 126
> make[5]: Leaving directory 
> `/home/murali/gromacs/gromacs-3.3.1/src/gmxlib/nonbonded/nb_kernel'
> make[4]: *** [all-recursive] Error 1
> make[4]: Leaving directory 
> `/home/murali/gromacs/gromacs-3.3.1/src/gmxlib/nonbonded'
> make[3]: *** [all-recursive] Error 1
> make[3]: Leaving directory `/home/murali/gromacs/gromacs-3.3.1/src/gmxlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/home/murali/gromacs/gromacs-3.3.1/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/home/murali/gromacs/gromacs-3.3.1/src'
> make: *** [all-recursive] Error 1
> 
> i understand that the mknb file generated by make is an powerpc 
> executable and therefore cannot be executed.(since i am on a intel machine).
> 
> kindly help me solve this problem.thank you in advance.
compile mknb separately for the host platform and run it before cross 
compiling.

you may also want to tell configure to use altivec
> 
> sincerely,
> ganapathy senthilkumar
> 
> 
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> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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