Seems like the problem persists even with Intel 15.0.3 compilers:
(cd rism && gmake yes )
gmake[2]: Entering directory
`/home/linux776_2091/build/amber18-intel/AmberTools/src/rism'
[RISM] FC rism1d.F90
[RISM] FC volslice.F90
[RISM] FC rism3d.thermo.F90
[RISM] AR librism
[RISM] FC rism3d.orave.F90
[RISM] FC volslice
[RISM] FC rism3d.orave
[RISM] FC rism3d.thermo
[RISM] FC rism1d
/home/linux776_2091/build/amber18-intel/lib/libfftw3.a(malloc.o): In
function `fftw_free':
malloc.c:(.text+0x0): multiple definition of `fftw_free'
/opt/intel/composer_xe_2015.3.187/mkl/lib/intel64/libmkl_intel_lp64.a(fftw_free.o):../../../../interfaces/fftw3xc/wrappers/fftw_free.c:(.text+0x0):
first defined here
gmake[2]: *** [volslice] Error 1
gmake[2]: *** Waiting for unfinished jobs....
gmake[2]: Leaving directory
`/home/linux776_2091/build/amber18-intel/AmberTools/src/rism'
gmake[1]: *** [serial] Error 2
gmake[1]: Leaving directory
`/home/linux776_2091/build/amber18-intel/AmberTools/src'
gmake: *** [install] Error 2
Is it can be related to the latest updates of AmberTools/AMBER?
13.08.2019 23:28, viktor drobot пишет:
> Hello, dear AMBER users and developers! I'm trying to compile
> AmberTools19/AMBER18 on our local cluster. I use gcc 4.8.5 compilers
> and explicitly set MKL_HOME environment variable for static linking
> MKL routines. However, I encountered the following error:
>
> ...
> (cd rism && gmake yes )
> gmake[2]: Entering directory
> `/home/linux776_2091/build/amber18-gnu/AmberTools/src/rism'
> [RISM] AR librism
> [RISM] FC rism1d.F90
> [RISM] FC rism3d.orave.F90
> [RISM] FC volslice.F90
> [RISM] FC rism3d.thermo.F90
> [RISM] FC volslice
> [RISM] FC rism3d.orave
> [RISM] FC rism3d.thermo
> [RISM] FC rism1d
> /home/linux776_2091/build/amber18-gnu/lib/libfftw3.a(malloc.o): In
> function `fftw_free':
> malloc.c:(.text+0x10): multiple definition of `fftw_free'
> /opt/intel/composer_xe_2015.3.187/mkl/lib/intel64/libmkl_intel_lp64.a(fftw_free.o):../../../../interfaces/fftw3xc/wrappers/fftw_free.c:(.text+0x0):
> first defined here
> collect2: error: ld returned 1 exit status
> gmake[2]: *** [volslice] Error 1
> gmake[2]: *** Waiting for unfinished jobs....
> gmake[2]: Leaving directory
> `/home/linux776_2091/build/amber18-gnu/AmberTools/src/rism'
> gmake[1]: *** [serial] Error 2
> gmake[1]: Leaving directory
> `/home/linux776_2091/build/amber18-gnu/AmberTools/src'
> gmake: *** [install] Error 2
>
> Seems like there is a mistake somewhere in Makefile(s) so bundled
> FFTW3 library and provided by MKL are in conflict with each other. How
> can I fix or overcome it?
>
> Thank you!
>
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Received on Fri Aug 16 2019 - 07:00:02 PDT
