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

[Nathan Moore]

Thanks for the help.  The system I'm cross-compiling for doesn't accept
stdin via argc, so I had to write a very brief hack in mkinl.c to
hard-code the choice of fortran or C.  Thanks for pointing me to the
proper file!

Nathan Moore

   > On Wed, 2005-06-01 at 15:48 -0500, Nathan Moore wrote:
>> 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,
>
> Since you are cross compiling you may need to run mkinl on the target
> processor, or better compile mkinl for the compiling processor.
>
> Try running the mkinl program manually, and do also issue the command
> file mkinl
> to see whether it is supposed to work on your compiling system.
>>
>> regards,
>>
>> Nathan Moore
>> _______________________________________________
>> gmx-users mailing list
>> gmx-users at gromacs.org
>> http://www.gromacs.org/mailman/listinfo/gmx-users
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org.
> --
> 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://xray.bmc.uu.se/~spoel
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>