libint-2.2.2 error when building CP2K 5.1 with Intel Composer 2017 update5

[Alfio Lazzaro]

Dear Jerry,
As far as I know CP2K doesn't support libint-2...

Alfio



Il giorno martedì 27 febbraio 2018 19:46:25 UTC+1, Jerry Tanoury ha scritto:
>
> Hi,
> I am trying to build CP2K 5.1 with Intel compilers and MKL libs.  I am 
> using ComposerXE 2017 update 5 (2017.5.239) with associated MKL libs, and 
> MPI library parallel studio 2017.5.061.  My arch file is attached.  At the 
> end of the build I get the following error:
>
>
> ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
> ld: ld: Warning: size of symbol `build_deriv1_eri' changed from 5000 in 
> /cluster/home/tanoury/CP2K/cp2k-5.1/lib/CP2K_allintel/popt/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 10368 in 
> /cluster/home/tanoury/CP2K/intelbuilt_packages/2017u5/libint-1.1.4/lib/libderiv.a(init_libderiv.o)Warning: 
> size of symbol `build_deriv1_eri' changed from 5000 in 
> /cluster/home/tanoury/CP2K/cp2k-5.1/lib/CP2K_allintel/popt/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 10368 in 
> /cluster/home/tanoury/CP2K/intelbuilt_packages/2017u5/libint-1.1.4/lib/libderiv.a(init_libderiv.o)
>
> ld: Warning: size of symbol `build_deriv1_eri' changed from 5000 in 
> /cluster/home/tanoury/CP2K/cp2k-5.1/lib/CP2K_allintel/popt/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 10368 in 
> /cluster/home/tanoury/CP2K/intelbuilt_packages/2017u5/libint-1.1.4/lib/libderiv.a(init_libderiv.o)
> ld: ld: Warning: size of symbol `build_eri' changed from 10368 in 
> /cluster/home/tanoury/CP2K/cp2k-5.1/lib/CP2K_allintel/popt/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 19208 in 
> /cluster/home/tanoury/CP2K/intelbuilt_packages/2017u5/libint-1.1.4/lib/libint.a(init_libint.o)Warning: 
> size of symbol `build_eri' changed from 10368 in 
> /cluster/home/tanoury/CP2K/cp2k-5.1/lib/CP2K_allintel/popt/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 19208 in 
> /cluster/home/tanoury/CP2K/intelbuilt_packages/2017u5/libint-1.1.4/lib/libint.a(init_libint.o)
>
> ld: Warning: size of symbol `build_eri' changed from 10368 in 
> /cluster/home/tanoury/CP2K/cp2k-5.1/lib/CP2K_allintel/popt/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 19208 in 
> /cluster/home/tanoury/CP2K/intelbuilt_packages/2017u5/libint-1.1.4/lib/libint.a(init_libint.o)
>
> ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
>
> My build of libint-2.2.2 is: ../configure 
> --prefix=/cluster/home/tanoury/CP2K/intelbuilt_packages/2017u5/libint-1.1.4 
> --with-libint-max-am=6 --with-libderiv-max-am1=5 --with-cc="icc -O2 -xHost" 
> --with-cc-optflags="-O2 -xHost" --with-cxx="icpc -O2 -xHost" 
> --with-cxx-optflags="-O2 -xHost"
>
> I've read previous threads about matching the am and am1 values between 
> the CP2K build and the libint build, which I have done.  I'm not sure 
> what's going on here.  
>
> Thank you for the help,
> Jerry
>
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