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

[Jerry Tanoury]

Hi Alfio,
My mistake, I am using libint-1.1.4 (I accidentally wrote the version for 
libxc).
.
On Tuesday, February 27, 2018 at 5:21:41 PM UTC-5, Alfio Lazzaro wrote:
>
> 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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