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

Mohamed Ahmed mohamed... at gmail.com
Thu Jan 9 05:43:11 UTC 2020

Hi Ole,

Thank you very much for your support.


On Friday, January 3, 2020 at 1:10:15 PM UTC+3, Ole Schütt wrote:
> 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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