<div dir="ltr">Than you very much! I tried the A way you suggessted and now ScaLAPACK was installed successfully. </div> <div class="gmail_quote"><div dir="ltr" class="gmail_attr">Tiziano Müller <<a href="mailto:tiziano...@chem.uzh.ch">tiziano...@chem.uzh.ch</a>> 于2020年7月30日周四下午11:08写道： </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">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: <a href="https://bugs.gentoo.org/684750" rel="noreferrer" target="_blank">https://bugs.gentoo.org/684750</a> 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 <a href="https://github.com/cp2k/cp2k.git" rel="noreferrer" target="_blank">https://github.com/cp2k/cp2k.git</a> D) you modify scripts/install_scalapack.sh to apply the patch provided in <a href="https://github.com/Reference-ScaLAPACK/scalapack/commit/14fb599e1675e70667858eec1febeebbbb2f9ac1" rel="noreferrer" target="_blank">https://github.com/Reference-ScaLAPACK/scalapack/commit/14fb599e1675e70667858eec1febeebbbb2f9ac1</a> 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, <a href="mailto:zho...@gmail.com" target="_blank">zho...@gmail.com</a> 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<<a href="mailto:tiz...@chem.uzh.ch" target="_blank">tiz...@chem.uzh.ch</a>> 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, <a href="mailto:zho...@gmail.com" target="_blank">zho...@gmail.com</a> 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<<a href="mailto:fa...@gmail.com" target="_blank">fa...@gmail.com</a>> 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, <a href="mailto:zho...@gmail.com" target="_blank">zho...@gmail.com</a> > 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! > > > > -- > > 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 <a href="mailto:cp2k%...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> > > <mailto:<a href="mailto:cp2k%...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>>. > > To view this discussion on the web visit > > > <a href="https://groups.google.com/d/msgid/cp2k/a49aa622-01a8-473b-bcb9-3df62a079e24n%40googlegroups.com" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/a49aa622-01a8-473b-bcb9-3df62a079e24n%40googlegroups.com</a> > > > > <<a href="https://groups.google.com/d/msgid/cp2k/a49aa622-01a8-473b-bcb9-3df62a079e24n%40googlegroups.com?utm_medium=email&utm_source=footer" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/a49aa622-01a8-473b-bcb9-3df62a079e24n%40googlegroups.com?utm_medium=email&utm_source=footer</a>>. > > > -- > Tiziano Müller > University of Zurich > Department of Chemistry > Winterthurerstrasse 190 > CH-8057 Zürich > > Tel: +41 44 63 54234 > <a href="http://www.chem.uzh.ch" rel="noreferrer" target="_blank">www.chem.uzh.ch</a> <<a href="http://www.chem.uzh.ch" rel="noreferrer" target="_blank">http://www.chem.uzh.ch</a>> > <a href="mailto:tiz...@chem.uzh.ch" target="_blank">tiz...@chem.uzh.ch</a> > > -- > 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 <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> > <mailto:<a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>>. > To view this discussion on the web visit > <a href="https://groups.google.com/d/msgid/cp2k/0fd19522-e60f-4a08-9654-8e68312221b6n%40googlegroups.com" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/0fd19522-e60f-4a08-9654-8e68312221b6n%40googlegroups.com</a> > <<a href="https://groups.google.com/d/msgid/cp2k/0fd19522-e60f-4a08-9654-8e68312221b6n%40googlegroups.com?utm_medium=email&utm_source=footer" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/0fd19522-e60f-4a08-9654-8e68312221b6n%40googlegroups.com?utm_medium=email&utm_source=footer</a>>. -- Tiziano Müller University of Zurich Department of Chemistry Winterthurerstrasse 190 CH-8057 Zürich Tel: +41 44 63 54234 <a href="http://www.chem.uzh.ch" rel="noreferrer" target="_blank">www.chem.uzh.ch</a> <a href="mailto:tiziano...@chem.uzh.ch" target="_blank">tiziano...@chem.uzh.ch</a> -- 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 <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/536671f7-6185-4385-4a1f-7c45fb44ffcf%40chem.uzh.ch" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/536671f7-6185-4385-4a1f-7c45fb44ffcf%40chem.uzh.ch</a>. </blockquote></div>