<div dir="ltr">Dear Tiziano<div><br></div><div>I was able to compile libcp2k, but I was less lucky with omen.</div><div><br></div><div>I get the errors </div><div><div><br></div><div><div>/usr/bin/ld: cannot find -lxsmmf</div><div>/usr/bin/ld: cannot find -lxsmm</div><div>/usr/bin/ld: cannot find -lderiv</div><div>/usr/bin/ld: cannot find -lint</div><div>/usr/bin/ld: cannot find -lxcf90</div><div>/usr/bin/ld: cannot find -lxc</div><div>/usr/bin/ld: cannot find -lfftw3</div><div>/usr/bin/ld: cannot find -lmpifort</div><div>/usr/bin/ld: cannot find -lopenblas</div></div></div><div><br></div><div>Could you please help me with this?</div><div><br></div><div>Bests</div><div>Luca</div><div><br><br>On Monday, May 20, 2019 at 12:48:24 PM UTC+2, Tiziano Müller wrote:<blockquote style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;" class="gmail_quote">Hi Luca,
<br>
<br>On 20.05.19 10:21, Luca wrote:
<br>> Dear Tiziano
<br>>
<br>> thank you for your answer. Unfortunately, your hints do not fix the
<br>> 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
<br>> in the dir ../script.
<br>> Furthermore, that script is not even present in the entire cp2k dir.
<br>> Does anyone know the reason for that? Which is the cp2k release I have
<br>> to use with OMEN? I am using the 6.1
<br>
<br>in v6.1 the script should still be there:
<br>
<br><a rel="nofollow" target="_blank" href="https://github.com/cp2k/cp2k/blob/v6.1.0/tools/toolchain/scripts/package_versions.sh">https://github.com/cp2k/cp2k/<wbr>blob/v6.1.0/tools/toolchain/<wbr>scripts/package_versions.sh</a>
<br>
<br>But it seems that the script by default pulls from old SVN trunk which
<br>is already missing the `package_versions.sh`.
<br>
<br>You can proceed by either commenting out the SVN checkout part in OMEN's
<br>`installer.sh` and make sure it uses the CP2K sources you provide or change
<br>
<br> cp2kTRUNKorRELEASE="trunk"
<br> cp2kRELEASEVER="4_1"
<br>
<br>to
<br>
<br> cp2kTRUNKorRELEASE="release"
<br> cp2kRELEASEVER="6_1"
<br>
<br>which should make the script pull version 6.1 from the old SVN (both
<br>methods not tested by me).
<br>In any what it seems you need some manual work to make the
<br>`installer.sh` work again.
<br>
<br>Best regards,
<br>Tiziano
<br>
<br>>
<br>> Best Regards.
<br>> Luca
<br>>
<br>> On Monday, May 20, 2019 at 9:22:00 AM UTC+2, Tiziano Müller wrote:
<br>>
<br>> Hi Luca,
<br>>
<br>> the dft-transport code seems to be assuming the old CP2K directory
<br>> layout from when we were still using Subversion.
<br>>
<br>> It might be enough to correct line 111 in the installer.sh to
<br>>
<br>> cp2k_toolchainDIR=${cp2kDIR}/<wbr>tools/toolchain
<br>>
<br>> ... and in lines 121, 130, 403 remove the `cp2k/` as well.
<br>>
<br>> Best regards,
<br>> Tiziano
<br>>
<br>> On 19.05.19 21:57, Luca wrote:
<br>> > Dear developers
<br>> >
<br>> > I am trying to install CP2K+OMEN by using the installer.sh script
<br>> > provided with the dft-transport sources.
<br>> > Unfortunately, the installer does not finish his work since it
<br>> crashes
<br>> > with the error:
<br>> >
<br>> >
<br>> ------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>--------------
<br>>
<br>> > build CP2K you should change directory:
<br>> > cd cp2k/makefiles/
<br>> > make -j 16 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"
<br>> >
<br>> > arch files for GPU enabled CUDA versions are named "local_cuda.*"
<br>> > arch files for valgrind versions are named "local_valgrind.*"
<br>> > arch files for coverage versions are named "local_coverage.*"
<br>> > ./installer.sh: line 141:
<br>> >
<br>> .../CP2K-OMEN/cp2k/cp2k/tools/<wbr>toolchain/scripts/package_<wbr>versions.sh: No
<br>> > such file or directory
<br>> >
<br>> ------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>--------------
<br>>
<br>> >
<br>> > Could you please help me to overcome this issue?
<br>> > Best Regards.
<br>> >
<br>> > Luca
<br>> >
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<br>> --
<br>> Tiziano Müller
<br>> University of Zurich
<br>> Department of Chemistry
<br>> Winterthurerstrasse 190
<br>> CH-8057 Zürich
<br>>
<br>> Tel: +41 44 63 54234
<br>> <a rel="nofollow" target="_blank" href="http://www.chem.uzh.ch">www.chem.uzh.ch</a> <<a rel="nofollow" target="_blank" href="http://www.chem.uzh.ch">http://www.chem.uzh.ch</a>>
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<br>>
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<br>--
<br>Tiziano Müller
<br>University of Zurich
<br>Department of Chemistry
<br>Winterthurerstrasse 190
<br>CH-8057 Zürich
<br>
<br>Tel: +41 44 63 54234
<br><a rel="nofollow" target="_blank" href="http://www.chem.uzh.ch">www.chem.uzh.ch</a>
<br><a rel="nofollow" target="_blank">tiz...@chem.uzh.ch</a>
<br></blockquote></div></div>