Re: [AMBER-Developers] First AmberTools release candidate

From: Volodymyr Babin <vbabin.ncsu.edu>
Date: Tue, 16 Mar 2010 21:17:30 -0400 (EDT)

WITHOUT the patch:

> Did configure report "MKL Version 9.x or earlier assumed"?
> [Update: I thought we were automatically figuring this out, but
> now I see that you have to add the "-oldmkl" flag -- did you do that?]

I did not use "-oldmkl" and it indeed assumed 10 or 11:

Using Intel MKL libraries in /usr/local/intel/mkl91023/lib/32
MKL Version 10 or 11 assumed.

with "-oldmkl" it sets the FLIBSF to

FLIBSF= $(LIBDIR)/arpack.a
/usr/local/intel/mkl91023/lib/32/libmkl_lapack.a
/usr/local/intel/mkl91023/lib/32/libmkl_ia32.a
-L/usr/local/intel/mkl91023/lib/32 -lguide -lpthread

and ends up with

pb_nlsolver.o(.text+0x1ad98): In function `pb_nlsolver_mp_pb_nmg_.J': :
undefined reference to `__svml_cosh2'

(needs -lsvml)

but then it again dies at

if [ "/gpfs_share/vbabin/amber11/lib/libfftw2xf_intel.a" =
'/gpfs_share/vbabin/amber11/lib/libfftw2xf_intel.a' ]; then\
        cd /usr/local/intel/mkl91023/interfaces/fftw2xf && make libi686 \
compiler=intel PRECISION=MKL_DOUBLE \
        INSTALL_DIR=/gpfs_share/vbabin/amber11/lib; \
else \
        cd ../fftw-2.1.5 && make install; \
fi
make[2]: Entering directory `/usr/local/intel/mkl91023/interfaces/fftw2xf'
make[2]: *** No rule to make target `libi686'. Stop.
make[2]: Leaving directory `/usr/local/intel/mkl91023/interfaces/fftw2xf'
make[1]: *** [/gpfs_share/vbabin/amber11/lib/libfftw2xf_intel.a] Error 2
make[1]: Leaving directory `/gpfs_share/vbabin/amber11/AmberTools/src/nab'
make: *** [serial] Error 2

============================================================================

after the patch: still no -lsvml in FLIBSF and still

if [ "/gpfs_share/vbabin/amber11/lib/libfftw2xf_intel.a" =
'/gpfs_share/vbabin/amber11/lib/libfftw2xf_intel.a' ]; then\
        cd /usr/local/intel/mkl91023/interfaces/fftw2xf && make lib32 \
        compiler=intel PRECISION=MKL_DOUBLE \
        INSTALL_DIR=/gpfs_share/vbabin/amber11/lib; \
else \
        cd ../fftw-2.1.5 && make install; \
fi
make[2]: Entering directory `/usr/local/intel/mkl91023/interfaces/fftw2xf'
make clean ../../lib/32/libfftw2xf_intel.a _IA=32
make[3]: Entering directory `/usr/local/intel/mkl91023/interfaces/fftw2xf'
rm -f ../../lib/32/libfftw2xf_intel.a *.o
icc -c -w -DMKL_DOUBLE -I../../include -I../../include/fftw
wrappers/fftw_destroy_plan.c -o fftw_destroy_plan.o
error: can't open file fftw_destroy_plan.o for write
compilation aborted for wrappers/fftw_destroy_plan.c (code 1)
make[3]: *** [fftw_destroy_plan.o] Error 1
make[3]: Leaving directory `/usr/local/intel/mkl91023/interfaces/fftw2xf'
make[2]: *** [lib32] Error 2
make[2]: Leaving directory `/usr/local/intel/mkl91023/interfaces/fftw2xf'
make[1]: *** [/gpfs_share/vbabin/amber11/lib/libfftw2xf_intel.a] Error 2
make[1]: Leaving directory `/gpfs_share/vbabin/amber11/AmberTools/src/nab'
make: *** [serial] Error 2


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Received on Tue Mar 16 2010 - 18:30:05 PDT
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