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Update toolchain README documentation (#4839)
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@ -17,9 +17,9 @@ If you are new to CP2K, and want a basic CP2K binary, then just calling
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> ./install_cp2k_toolchain.sh
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```
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may be enough. This will use your system gcc, and mpi library (if existing) and build libint, libxc,
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fftw and openblas (MKL will be used instead if MKLROOT env variable is found) from scratch, and give
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you a set of arch files that allow you to compile CP2K.
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may be enough. This will use your system GCC and MPI library (if existing), and build libint, libxc,
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FFTW and OpenBLAS (MKL will be used instead if `MKLROOT` env variable is found) from scratch, and
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then provide instructions on how to compile CP2K using the tools provided by toolchain.
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## Complete toolchain build
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@ -43,7 +43,7 @@ scratch.
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### MPI implementation choice
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If you do not have a MPI installation, by default the `--install-all` option will install MPICH for
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If you do not have an MPI installation, by default the `--install-all` option will install MPICH for
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you. You can change this default behavior by setting `--mpi-mode` after the `--install-all` option.
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## Trouble Shooting
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@ -54,26 +54,26 @@ Below are solutions to some of the common problems you may encounter when runnin
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Look at the error message. If it does not indicate the reason for failure then it is likely that
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some error occurred during compilation of the package. You can look at the compiler log in the file
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make.log in the source directory of the package in `./build`.
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`make.log` in the source directory of the package in `./build`.
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One of the causes on some systems may be the fact that too many parallel make processes were
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initiated. By default the script tries to use all of the processors on you node. You can override
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this behavior using `-j` option.
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this behavior using `-j N` option, where `N` specifies the number of processors to use.
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### The script failed at a tarball downloading stage
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Try run again with `--no-check-certificate` option. See the help section for this option for
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details.
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### I've used --with-XYZ=system cannot find the XYZ library
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### I've used `--with-XYZ=system` but the XYZ library cannot be found
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The installation script in "system" mode will try to find a library in the following system PATHS:
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`LD_LIBRARY_PATH`, `LD_RUN_PATH`, `LIBRARY_PATH`, `/usr/local/lib64`, `/usr/local/lib`,
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`/usr/lib64`, `/usr/lib`.
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`LD_LIBRARY_PATH`, `LD_RUN_PATH`, `LIBRARY_PATH`, `/usr/local/lib64`, `/usr/local/lib`, `/usr/lib`,
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`/usr/lib64`, and if using Ubuntu, `/usr/lib/x86_64-linux-gnu` or `/usr/lib/aarch-linux-gnu`.
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For MKL libraries, the installation script will try to look for MKLROOT environment variable.
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For MKL libraries, the installation script will try to look for `MKLROOT` environment variable.
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You can use:
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If you are using environment modules, you can use:
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```shell
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> module show XYZ
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@ -89,8 +89,8 @@ for the library.
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## Licenses
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The toolchain only downloads and installs packages that are
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[compatible with the GPL](https://www.gnu.org/licenses/gpl-faq.html#WhatDoesCompatMean). The
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__The toolchain only downloads and installs packages that are__
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__[compatible with the GPL](https://www.gnu.org/licenses/gpl-faq.html#WhatDoesCompatMean).__ The
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following table list the licenses of all those packages. While the toolchain does support linking
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proprietary software packages, like e.g. MKL, these have to be installed separately by the user.
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