Mike Hanby wrote:
I keep failing the ../configure .... when I have -lmass or -lmassv in
LIBS for the frontend gromacs configure:
-----------------------------
checking for C compiler default output file name...
configure: error: C compiler cannot create executables
-----------------------------
XLMASS=/opt/ibmcmp/xlmass/bg/4.4
ESSL=/opt/ibmmath
MPI=/bgl/BlueLight/ppcfloor/bglsys
BG_INCLUDE="-I$ESSL/include -I$MPI/include -I$XLMASS/include
-I$VAC/include -I$XLF/include"
MPILIBS="-L$MPI/lib -lmpich.rts -lmsglayer.rts -ldevices.rts -lrts.rts
-ldevices.rts -lrts.rts"
ESSLLIBS="-L$ESSL/lib -lesslbg"
BG_LIBS="-L$VAC/lib $ESSLLIBS -lxlopt -lnss_files -lnss_dns -lresolv -lc
-lnss_files -lnss_dns -lresolv $MPILIBS"
../configure --prefix=$PREFIX \
--enable-fortran \
--enable-ppc-sqrt \
--disable-ppc-altivec \
--enable-fortran \
--with-fft=fftw3 \
--without-x \
CC="xlc_r -q64" CFLAGS="-O3 -qarch=auto -qtune=auto" \
CXX="xlC_r -q64" CXXFLAGS="-O3 -qarch=auto -qtune=auto" \
CPPFLAGS="-I$FFTW/include $OTHERINCLUDES" \
F77="xlf_r -q64" FFLAGS="-O3 -qnoprefetch -qarch=auto -qtune=auto"
\
LDFLAGS="-L$FFTW/lib " \
LIBS="$XLMASS/lib -lmass -L$FFTW/lib"
If I remove $XLMASS/lib -lmass LIBS variable, the configure continues
on.
The /opt/ibmcmp/xlmass/bg/4.4 directory has the following libraries
/opt/ibmcmp/xlmass/bg/4.4/bglib:
libmass.a
libmassv.a
/opt/ibmcmp/xlmass/bg/4.4/lib:
libmass.a
libmassvp4.a
libmassvp5.a
/opt/ibmcmp/xlmass/bg/4.4/lib64:
libmass_64.a
libmassvp4_64.a
libmassvp5_64.a
Any suggestions?
MASS and MASSV are some optimized math libraries with and without
vectorization - anything in a "bg" subdirectory is only suitable for
execution on the back end.
Even if you have a MASS/MASSV for the front end, unless you're planning
on running mdrun on it, you won't want it for 99% of GROMACS usage.
Mark
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