[gmx-users] how to use altivec on power6 cpu

shuqi zhao execuse at gmail.com
Tue Apr 27 05:26:42 CEST 2010

Mark, thanks. It resolves my problem.
2010/4/21 Mark Abraham <Mark.Abraham at anu.edu.au>

>  On 21/04/2010 4:14 PM, shuqi zhao wrote:
>> Dear all,
>> I am compiling gromacs 4.0.7 on AIX 5.3 with "./configure --enable-mpi
>> --enable-ppc-sqrt=1 --enable-ppc-altivec --disable-fortran
>> --with-fft=fftw3". The source codes under
>> src/gmxlib/nonbonded/nb_kernel_ppc_altivec/ are compiled and archived.
>> However, when generating the executable binary "mdrun", it seems that
>> the object file generated by "mknb" is used to link for mdrun.
>> Therefore, I cannot make full use of SIMD instruction to accelerate the
>> computation on power architecture. Does anyone know what should I do to
>> let mdrun call nb_kernel**_ppc_altivec instead of nb_kernel***? Thanks a
>> lot.
> mdrun tests at runtime to see whether the altivec instructions will fail -
> see the code in src/gmxlib/nonbonded/nonbonded.c and the altivec-related
> subdirectory. Check your .log file to see what it says about that test.
> Probably it's attempting the test and then failing. This suggests the
> hardware you're compiling for won't work with the altivec implementation of
> GROMACS, or that you haven't got the compiler organized properly.
> Mark
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