[CP2K-user] [CP2K:11760] CP2K+OMEN

[Luca]

Dear Tiziano

thank you for your help. 
Best Regards
Luca 

On Monday, May 20, 2019 at 12:48:24 PM UTC+2, Tiziano Müller wrote:
>
> Hi Luca, 
>
> On 20.05.19 10:21, Luca wrote: 
> > Dear Tiziano 
> > 
> > thank you for your answer. Unfortunately, your hints do not fix the 
> > issue. The path to the cp2k sources is .../CP2K-OMEN/cp2k/cp2k/src. > I 
> believe the reason is that the script package_versions.sh do not exist 
> > in the dir ../script. 
> > Furthermore, that script is not even present in the entire cp2k dir. 
> > Does anyone know the reason for that? Which is the cp2k release I have 
> > to use with OMEN? I am using the 6.1 
>
> in v6.1 the script should still be there: 
>
>
> https://github.com/cp2k/cp2k/blob/v6.1.0/tools/toolchain/scripts/package_versions.sh 
>
> But it seems that the script by default pulls from old SVN trunk which 
> is already missing the `package_versions.sh`. 
>
> You can proceed by either commenting out the SVN checkout part in OMEN's 
> `installer.sh` and make sure it uses the CP2K sources you provide or 
> change 
>
>    cp2kTRUNKorRELEASE="trunk" 
>    cp2kRELEASEVER="4_1" 
>
> to 
>
>    cp2kTRUNKorRELEASE="release" 
>    cp2kRELEASEVER="6_1" 
>
> which should make the script pull version 6.1 from the old SVN (both 
> methods not tested by me). 
> In any what it seems you need some manual work to make the 
> `installer.sh` work again. 
>
> Best regards, 
> Tiziano 
>
> > 
> > Best Regards. 
> > Luca 
> > 
> > On Monday, May 20, 2019 at 9:22:00 AM UTC+2, Tiziano Müller wrote: 
> > 
> >     Hi Luca, 
> > 
> >     the dft-transport code seems to be assuming the old CP2K directory 
> >     layout from when we were still using Subversion. 
> > 
> >     It might be enough to correct line 111 in the installer.sh to 
> > 
> >         cp2k_toolchainDIR=${cp2kDIR}/tools/toolchain 
> > 
> >     ... and in lines 121, 130, 403 remove the `cp2k/` as well. 
> > 
> >     Best regards, 
> >     Tiziano 
> > 
> >     On 19.05.19 21:57, Luca wrote: 
> >      > Dear developers 
> >      > 
> >      > I am trying to install CP2K+OMEN by using the installer.sh script 
> >      > provided with the dft-transport sources. 
> >      > Unfortunately, the installer does not finish his work since it 
> >     crashes 
> >      > with the error: 
> >      > 
> >      > 
> >     
> -------------------------------------------------------------------------------------------------------- 
>
> > 
> >      >   build CP2K you should change directory: 
> >      >    cd cp2k/makefiles/ 
> >      >    make -j 16 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp" 
> >      > 
> >      > arch files for GPU enabled CUDA versions are named "local_cuda.*" 
> >      > arch files for valgrind versions are named "local_valgrind.*" 
> >      > arch files for coverage versions are named "local_coverage.*" 
> >      > ./installer.sh: line 141: 
> >      > 
> >     .../CP2K-OMEN/cp2k/cp2k/tools/toolchain/scripts/package_versions.sh: 
> No 
> >      > such file or directory 
> >      > 
> >     
> -------------------------------------------------------------------------------------------------------- 
>
> > 
> >      > 
> >      > Could you please help me to overcome this issue? 
> >      > Best Regards. 
> >      > 
> >      > Luca 
> >      > 
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> >     -- 
> >     Tiziano Müller 
> >     University of Zurich 
> >     Department of Chemistry 
> >     Winterthurerstrasse 190 
> >     CH-8057 Zürich 
> > 
> >     Tel: +41 44 63 54234 
> >     www.chem.uzh.ch <http://www.chem.uzh.ch> 
> >     tiz... at chem.uzh.ch <javascript:> 
> > 
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> -- 
> Tiziano Müller 
> University of Zurich 
> Department of Chemistry 
> Winterthurerstrasse 190 
> CH-8057 Zürich 
>
> Tel: +41 44 63 54234 
> www.chem.uzh.ch 
> tiz... at chem.uzh.ch <javascript:> 
>
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