[CP2K-user] [CP2K:11766] CP2K+OMEN
Tiziano Müller
tiziano... at chem.uzh.ch
Tue May 21 11:05:44 UTC 2019
Hi Luca,
this means that the linker is unable to find the mentioned libraries [1].
Make sure you source the `setup` file from the toolchain (as instructed
by the toolchain script):
source [...]/cp2k/tools/toolchain/install/setup
which adds the library paths to the variable `$LD_LIBRARY_PATH` from
where the linker should pick them up.
Best regards,
Tiziano
[1]
https://stackoverflow.com/questions/16710047/usr-bin-ld-cannot-find-lnameofthelibrary
On 21.05.19 11:09, Luca wrote:
> Dear Tiziano
>
> I was able to compile libcp2k, but I was less lucky with omen.
>
> I get the errors
>
> /usr/bin/ld: cannot find -lxsmmf
> /usr/bin/ld: cannot find -lxsmm
> /usr/bin/ld: cannot find -lderiv
> /usr/bin/ld: cannot find -lint
> /usr/bin/ld: cannot find -lxcf90
> /usr/bin/ld: cannot find -lxc
> /usr/bin/ld: cannot find -lfftw3
> /usr/bin/ld: cannot find -lmpifort
> /usr/bin/ld: cannot find -lopenblas
>
> Could you please help me with this?
>
> Bests
> 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
> <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
> > >
> > > --
> > > You received this message because you are subscribed to
> the Google
> > > Groups "cp2k" group.
> > > To unsubscribe from this group and stop receiving emails
> from it,
> > send
> > > an email to c... at googlegroups.com <javascript:>
> > > <mailto:c... at googlegroups.com <javascript:>>.
> > > To post to this group, send email to c... at googlegroups.com
> > <javascript:>
> > > <mailto:c... at googlegroups.com <javascript:>>.
> > > Visit this group at https://groups.google.com/group/cp2k
> <https://groups.google.com/group/cp2k>
> > <https://groups.google.com/group/cp2k
> <https://groups.google.com/group/cp2k>>.
> > > To view this discussion on the web visit
> > >
> >
> https://groups.google.com/d/msgid/cp2k/fbd50f2d-3d54-4ed7-aff1-9a171647e61b%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/fbd50f2d-3d54-4ed7-aff1-9a171647e61b%40googlegroups.com>
>
> >
> <https://groups.google.com/d/msgid/cp2k/fbd50f2d-3d54-4ed7-aff1-9a171647e61b%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/fbd50f2d-3d54-4ed7-aff1-9a171647e61b%40googlegroups.com>>
>
> >
> > >
> >
> <https://groups.google.com/d/msgid/cp2k/fbd50f2d-3d54-4ed7-aff1-9a171647e61b%40googlegroups.com?utm_medium=email&utm_source=footer
> <https://groups.google.com/d/msgid/cp2k/fbd50f2d-3d54-4ed7-aff1-9a171647e61b%40googlegroups.com?utm_medium=email&utm_source=footer>
>
> >
> <https://groups.google.com/d/msgid/cp2k/fbd50f2d-3d54-4ed7-aff1-9a171647e61b%40googlegroups.com?utm_medium=email&utm_source=footer
> <https://groups.google.com/d/msgid/cp2k/fbd50f2d-3d54-4ed7-aff1-9a171647e61b%40googlegroups.com?utm_medium=email&utm_source=footer>>>.
>
> >
> > > For more options, visit https://groups.google.com/d/optout
> <https://groups.google.com/d/optout>
> > <https://groups.google.com/d/optout
> <https://groups.google.com/d/optout>>.
> >
> > --
> > 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> <http://www.chem.uzh.ch>
> > tiz... at chem.uzh.ch <javascript:>
> >
> > --
> > You received this message because you are subscribed to the Google
> > Groups "cp2k" group.
> > To unsubscribe from this group and stop receiving emails from it,
> send
> > an email to c... at googlegroups.com
> > <mailto:c... at googlegroups.com>.
> > To post to this group, send email to c... at googlegroups.com
> > <mailto:c... at googlegroups.com>.
> > Visit this group at https://groups.google.com/group/cp2k
> <https://groups.google.com/group/cp2k>.
> > To view this discussion on the web visit
> >
> https://groups.google.com/d/msgid/cp2k/451b70e6-00ec-4554-9bf5-05c7e71ca421%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/451b70e6-00ec-4554-9bf5-05c7e71ca421%40googlegroups.com>
>
> >
> <https://groups.google.com/d/msgid/cp2k/451b70e6-00ec-4554-9bf5-05c7e71ca421%40googlegroups.com?utm_medium=email&utm_source=footer
> <https://groups.google.com/d/msgid/cp2k/451b70e6-00ec-4554-9bf5-05c7e71ca421%40googlegroups.com?utm_medium=email&utm_source=footer>>.
>
> > For more options, visit https://groups.google.com/d/optout
> <https://groups.google.com/d/optout>.
>
> --
> 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
>
> --
> You received this message because you are subscribed to the Google
> Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send
> an email to cp... at googlegroups.com
> <mailto:cp... at googlegroups.com>.
> To post to this group, send email to cp... at googlegroups.com
> <mailto:cp... at googlegroups.com>.
> Visit this group at https://groups.google.com/group/cp2k.
> To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/e253c95b-c3d5-4c4a-bfc7-0b3c3150fdb0%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/e253c95b-c3d5-4c4a-bfc7-0b3c3150fdb0%40googlegroups.com?utm_medium=email&utm_source=footer>.
> For more options, visit https://groups.google.com/d/optout.
--
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich
Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch
More information about the CP2K-user
mailing list