[CP2K-user] [CP2K:13703] Re: error in compling CP2K using toolchain

[wang zhongliao]

Thank you very much! I tried the A way you suggested and now ScaLAPACK was
installed successfully.

Tiziano Müller <tiziano... at chem.uzh.ch> 于2020年7月30日周四 下午11:08写道：

> Ok, I think you're running into a compatibility problem with the
> Scalapack-Version (2.0.2) in our toolchain and the OpenMPI-Version
> you've installed on your system (/usr/local/bin/mpif90), based on the
> error message from your make.log:
>
> /home/wangzl/cp2k-7.1/tools/toolchain/build/scalapack-2.0.2/BLACS/SRC/cgamn2d_.c:224:12:
>
> error: expected expression before ‘_Static_assert’
>
> and what an Internet-search turned up:
>
>    https://bugs.gentoo.org/684750
>
> There are different ways to proceed if that is the case:
>
> A) you call install_cp2k_toolchain.sh with
>
>      ./install_cp2k_toolchain.sh --with-openmpi
>
> or
>
>      ./install_cp2k_toolchain.sh --with-mpich
>
> to have it build a compatible OpenMPI or MPICH version and not use the
> one from /usr/local.
>
> B) you downgrade your OpenMPI installation in /usr/local/bin to <4.0
> C) you use the latest CP2K version from git with:
>
>      git clone --recursive https://github.com/cp2k/cp2k.git
> D) you modify scripts/install_scalapack.sh to apply the patch provided
> in
>
> https://github.com/Reference-ScaLAPACK/scalapack/commit/14fb599e1675e70667858eec1febeebbbb2f9ac1
> E) you install your own Scalapack 2.1.x in /usr/local and use
>      ./install_cp2k_toolchain.sh --with-scalapack=system
> ...
>
> Hope this helps,
> best regards,
> Tiziano
>
> On 30.07.20 16:39, zho... at gmail.com wrote:
> > Thank you for your suggesstion! The make.log and configure.log files are
> > attached below. This scalapack installation failure problem has bothered
> > me for several days, but I still haven't found a way to solve it. I need
> > get your help so that I can learn about the use of CP2K. Thanks!
> >
> > 在2020年7月30日星期四 UTC+8 下午3:56:37<tiz... at chem.uzh.ch> 写道：
> >
> >     please post the complete build/scalapack-2.1.0/build/make.log (or the
> >     part where one can see the original compiler error for sgamx2d_.c).
> >
> >     Best regards,
> >     Tiziano
> >
> >     On 29.07.20 15:34, zho... at gmail.com wrote:
> >      > Thank you for your kind suggesstion！I checked the configure.log,
> >     but I
> >      > am still not sure what contributes to the error. I touched the
> >      > configure.log below, could you help me analyze it? Thanks!
> >      > 在2020年7月29日星期三 UTC+8 下午3:01:27<fa... at gmail.com> 写道：
> >      >
> >      > Hi,
> >      >
> >      > You have to check the appropriate log file to find the error:
> >      >
> >      > build/scalapack-2.1.0/build/configure.log
> >      >
> >      > Best,
> >      > Fabian
> >      >
> >      > On Wednesday, 29 July 2020 04:14:05 UTC+2, zho... at gmail.com
> >     wrote:
> >      >
> >      > Hi Everyone,
> >      > I meet a difficulty in compling CP2K using toolchain. Here is
> >      > the error in installing ScaLAPACK.
> >      > ==================== Installing ScaLAPACK ====================
> >      > scalapack-2.0.2.tgz is found
> >      > Installing from scratch into
> >      > /home/wangzl/cp2k-7.1.0/tools/toolchain/install/scalapack-2.0.2
> >      > ERROR: (./scripts/install_scalapack.sh, line 47) Non-zero exit
> >      > code detected.
> >      > and the error in make.log is following
> >      > make[2]: *** [CMakeFiles/scalapack.dir/build.make:661:
> >      > CMakeFiles/scalapack.dir/BLACS/SRC/sgamx2d_.c.o] Error 1
> >      > make[1]: *** [CMakeFiles/Makefile2:877:
> >      > CMakeFiles/scalapack.dir/all] Error 2
> >      > I tried to search sgamx2d_.c.o in
> >      > CMakeFiles/scalapack.dir/BLACS/SRC but fail to find. I am
> >      > puzzling now. Can anyone help me? Thanks!
> >      >
> >      > --
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> >
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> >
> >      >
> >     <
> https://groups.google.com/d/msgid/cp2k/a49aa622-01a8-473b-bcb9-3df62a079e24n%40googlegroups.com?utm_medium=email&utm_source=footer
> >.
> >
> >
> >     --
> >     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
> >
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> > <
> https://groups.google.com/d/msgid/cp2k/0fd19522-e60f-4a08-9654-8e68312221b6n%40googlegroups.com?utm_medium=email&utm_source=footer
> >.
>
> --
> 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
>
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> .
>
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