Re: [AMBER-Developers] First AmberTools release candidate

From: Volodymyr Babin <>
Date: Wed, 17 Mar 2010 11:03:53 -0400 (EDT)

> Ooooh! the Makefile in amber11/src/nab looks dangerous: it uses
> INSTALL_DIR=$(AMBERHOME)/lib, but what happens if AMBERHOME is not
> set? The statement should be INSTALL_DIR=$(LIBDIR), which is both more
> accurate and sure to be set. I've updated this in CVS.

I applied Tyler's patch and your fix by hands to the RC (not CVS),
but still getting the following for MKL:

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; \
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

the makefile in /usr/local/intel/mkl91023/interfaces/fftw2xf as far as
I can tell tries to put the .o files locally (in /usr/local); it should
be possible to copy mkl91023/interfaces/fftw2xf to some writable
location, but ... [I better say nothing]

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Received on Wed Mar 17 2010 - 08:30:03 PDT
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