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.affin...@cineca.it
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
