[AMBER] AmberTools19/AMBER18 - FFTW3 and MKL compiling issues

From: viktor drobot <linux776.gmail.com>
Date: Tue, 13 Aug 2019 23:28:50 +0300

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
[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'
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
gmake[1]: *** [serial] Error 2
gmake[1]: Leaving directory
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 Tue Aug 13 2019 - 13:30:02 PDT
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