[CP2K-user] Error while compiling cp2k v7.1

[Ole Schütt]

Hi Mohamed,

thanks for reporting this. I've filed an issue with the SIRIUS team: 
https://github.com/electronic-structure/SIRIUS/issues/453

It seems this issue only surfaces with GCC9. Unfortunately, none of the 
CP2K test caught this because they are using the latest Ubuntu LTS release 
(18.04), which does not yet contain GCC9.

-Ole


On Wednesday, January 1, 2020 at 1:40:58 PM UTC+1, Mohamed Ahmed wrote:
>
> After some looking, I found that the variable i is defined as intent(out) 
> in 
> https://electronic-structure.github.io/SIRIUS-doc/dc/d66/generated_8f90_source.html#l02751 
> and in ~/cp2k/tools/toolchain/build/SIRIUS-6.4.1/src/generated.f90. I 
> believe that if the subroutine call would accept the value of i in the DO 
> loop it should be defined with intent(in) instead of intent(out). I edited 
> generated.f90 accordingly but got the same error again. I am now looking 
> for another file where the subroutine is defined so that I can edit it.
>
> Please clarify whether I am on the right track to solving this problem. 
> Your help will be highly appreciated. Thank you very much. 
>
> On Tuesday, December 31, 2019 at 5:38:29 PM UTC+3, Mohamed Ahmed wrote:
>>
>> Hi everyone,
>>
>> I am trying to build cp2k v7.1. Referring to the attached screenshot, I 
>> get the error shown when executing *make -j 4 ARCH=local VERSION=psmp* 
>> after successfully executing *./install_cp2k_toolchain.sh 
>> --libint-lmax=7 --with-cmake=system --with-pexsi=install 
>> --with-quip=install --with-spglib=install --with-plumed=install* and *source 
>> /home/mohamedsami144/cp2k/tools/toolchain/install/setup. *My machine is 
>> running Ubuntu 19.10.
>>
>> Your help to solve this issue will be greatly appreciated.
>>
>> Happy new Decade.
>>
>
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