[gmx-users] Installation - can I skip auto-vectorization?

[Nathan Moore]

Here's more detail on the problem, to restate, cross-compiling on ppc64
system for use on a ppc32 parallel machine:

I configure with the following script,

./configure \
        --enable-mpi \
        F77='/opt/ibmcmp/xlf/9.1/bin/blrts_xlf' \
        CC='/opt/ibmcmp/vac/7.0/bin/blrts_cc' \
        MPICC='/opt/ibmcmp/vac/7.0/bin/blrts_cc' \
        CFLAGS="-g -I/bgl/BlueLight/ppcfloor/bglsys/include" \
        CPPFLAGS="-I/bglhome/usr2/ntmoore/lib/fftw-mpi-single/include" \
        LDFLAGS="-L/bgl/BlueLight/ppcfloor/bglsys/lib
-L/bglhome/usr2/ntmoore/lib/fftw-mpi-single/lib" \
        LIBS=" -lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts -lfftw
-lfftw_mpi -lrfftw -lrfftw_mpi" \
        --build=ppc-linux-gnu \
        --target=ppc-bgl-blrtsgnu \
        --host=powerpc

Then, following your suggestion, I make,

cd ./src/gmxlib
make CFLAGS=-g mkinl
cd ../..
make

Finally, I see the failure in make,

>>> This is the GROMACS code generator for MD & MC inner loops
>>> It will generate single precision C code in file innerc.c
>>> Using gromacs invsqrt code
>>> Inlining gromacs invsqrt code
>>> Using normal solvent optimized loops
>>> Prefetching forces in loops: none
>>> Nonthreaded inner loops
>>> Vectorizing invsqrt in loops:none
Error creating file innerc.c
make[3]: *** [innerc.c] Error 255
make[3]: Leaving directory
`/bglhome/usr2/ntmoore/GROMACS/gromacs-3.2/src/gmxlib'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/bglhome/usr2/ntmoore/GROMACS/gromacs-3.2/src'
make[1]: *** [all] Error 2

Any insight into why things fail would be appreciated,

regards,

Nathan Moore