[gmx-users] error on compilation on BlueGene/P

[Fabio Affinito]

... and if I add the --enable-bluegene flag :

"../../../../../src/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_gen_bluegene.h",
line 163.21: 1506-1231 (S) The built-in function "__fpsub" is not valid
for the target architecture.

and more similar errors.


F.

On 09/20/2010 05:35 PM, Fabio Affinito wrote:
> Hi all,
> I'm trying to install Gromacs on BG/P following the instruction reported
> here:
> http://www.gromacs.org/Downloads/Installation_Instructions/GROMACS_on_BlueGene
> 
> I ran configure:
> ../configure --prefix=/bgp/userinternal/cin0644a/gromacs \
>              --enable-ppc-sqrt \
>              --disable-ppc-altivec \
>              --enable-fortran \
>              --with-fft=fftw3 \
>              --without-x \
>              CFLAGS="-O3 -qarch=auto -qtune=auto" \
>              CC="xlc_r -q64" \
>              CXX="xlC_r -q64" \
>              CXXFLAGS="-O3 -qarch=auto -qtune=auto" \
>              CPPFLAGS="-I/bgp/userinternal/cin0644a/fftwlibs/include" \
>              F77="xlf_r -q64" \
>              FFLAGS="-O3 -qnoprefetch -qarch=auto -qtune=auto" \
>              LDFLAGS="-L/bgp/userinternal/cin0644a/fftwlibs/lib"
> 
> But when I compile with make I get this error:
> 
> "../../../../../src/gmxlib/nonbonded/nb_kernel_f77_single/nb_kernel_f77_single.c",
> line 42.10: 1506-296 (S) #include file "nbkernel010_f77_single.h" not found.
> "../../../../../src/gmxlib/nonbonded/nb_kernel_f77_single/nb_kernel_f77_single.c",
> line 43.10: 1506-296 (S) #include file "nbkernel020_f77_single.h" not found.
> "../../../../../src/gmxlib/nonbonded/nb_kernel_f77_single/nb_kernel_f77_single.c",
> line 44.10: 1506-296 (S) #include file "nbkernel030_f77_single.h" not found.
> "../../../../../src/gmxlib/nonbonded/nb_kernel_f77_single/nb_kernel_f77_single.c",
> line 45.10: 1506-296 (S) #include file "nbkernel100_f77_single.h" not found.
> [...]
> "../../../../../src/gmxlib/nonbonded/nb_kernel_f77_single/nb_kernel_f77_single.c",
> line 114.5: 1506-045 (S) Undeclared identifier nbkernel010_f77_single.
> "../../../../../src/gmxlib/nonbonded/nb_kernel_f77_single/nb_kernel_f77_single.c",
> line 115.5: 1506-045 (S) Undeclared identifier nbkernel020_f77_single.
> "../../../../../src/gmxlib/nonbonded/nb_kernel_f77_single/nb_kernel_f77_single.c",
> line 116.5: 1506-045 (S) Undeclared identifier nbkernel030_f77_single.
> "../../../../../src/gmxlib/nonbonded/nb_kernel_f77_single/nb_kernel_f77_single.c",
> line 117.5: 1506-045 (S) Undeclared identifier nbkernel100_f77_single.
> 
> 
> Do you have any hint about that?
> 
> Thanks in advance!
> 
> F.
> 
> 


-- 
*********************************************
Fabio Affinito, PhD
CINECA
InterUniversity Computer Center
Via Magnanelli, 6/3
Casalecchio di Reno (Bologna) ITALY
+39/051/6171794 (Phone)
e-mail: f.affinito at cineca.it