On Mon, Nov 25, 2019 at 7:08 PM Marcelo Carignano <macarign...@gmail.com> wrote:
> Hello there, > today I installed EasyBuild on a Cray XC50, installation went ok. > Then I tried to install CP2K by doing: > > > eb CP2K-6.1-intel-2018a.eb --modules-tool EnvironmentModulesC > --module-syntax Tcl --robot > > > and eb started fetching and installing all the pieces. > > > I understand this is a complex process and I am not trying to understand > everything in a couple of days, but there are things I cannot figure out > and it will make my day to just have an idea of what is going on. > > > First thing is related to --modules-tool EnvironmentModulesC > --module-syntax Tcl > > > I couldn't figure out how to define the corresponding env variables > to avoid the need of using --modules-tool and --module-syntax. Is there a > way to define these var in .bashrc? > > My .bashrc has the following lines: > you can configure easybuild using cli arguments, env vars or a config file https://easybuild.readthedocs.io/en/latest/Configuration.html#supported-configuration-types a possible approach is to create an example config file and adapt it to your needs https://easybuild.readthedocs.io/en/latest/Configuration.html#generating-a-template-configuration-file no matter if you use cli arguments, env var or config file it's always good practice to review what config is being applied https://easybuild.readthedocs.io/en/latest/Configuration.html#overview-of-current-configuration-show-config-show-full-config > > EASYBUILD_PREFIX=$HOME/.local/easybuild > > MODULEPATH=$MODULEPATH:$EASYBUILD_PREFIX/modules/all > > > The second point is about icc/2018.1.163-GCC-6.4.0-2.28, which is in the > dependency list of the CP2K eb file I started with. How is it that eb can > download the sources from intel? Are they really open? I have the feeling > that the process has stopped since it has been trying to fetch the files > for a long time.. Please let me know if I am missing something here. When I > try to access the intel address from the icc.eb file, I get the request for > an email and serial number... which I can't believe eb knows to be able to > pass it on... > > Again, I am a bit confused. Any help is welcome. > You are right, easybuild cannot download the intel tarballs. If you want to install intel you should download the required files yourself (check the easyconfigs or the failed build logs to find out the proper tarball names that easybuild expects) and you have to manually copy those tarballs to the folder where easybuild will look for them. https://easybuild.readthedocs.io/en/latest/Configuration.html#sourcepath If you are starting to learn how easybuild works I would recommend you to start using a foss toolchain instead of intel toolchain. foss toolchains are easier for the first try because all the tarballs can be automatically donwloaded. Once you get the feeling on how easybuild works with foss toolchains you can move forward to intel toolchains. e.g. I would start by trying "eb CP2K-6.1-foss-2019a.eb --modules-tool EnvironmentModulesC --module-syntax Tcl --robot" regards, Pablo. > > Thank you very much, > > > Marcelo Carignano. > > > > > -- Pablo Escobar López Linux/HPC systems engineer sciCORE, University of Basel SIB Swiss Institute of Bioinformatics
