[CP2K-user] [CP2K:12226] Compile error: /usr/bin/ld: cannot find -lhwloc

[Tiziano Müller]

Hi Solal,

fairly recent versions of Spack started archiving the CP2K arch file 
used for building CP2K.

Use `spack find -p cp2k` to get the Spack directory for your build of 
CP2K.  Inside this directory there is a subdirectory 
`.spack/archived-files/cp2k/arch/` which contains the arch file 
generated in Spack's build process. You should be able to use this arch 
file build your own version of CP2K with the libraries provided by Spack.

 From the command line you sent I can't reproduce what you did, and it 
is therefore also difficult to say what you're missing. But it seems 
that you started to build your own stuff in `/root/tmp`. If you're going 
this road I'd recommend to use the toolchain scripts in 
`tools/toolchain` instead to build both the libraries and a matching 
arch file.

Best regards,
Tiziano

On 16.09.19 11:11, Solal Amouyal wrote:
> Hi,
> 
> I am trying to install cp2k locally. I have successfully installed cp2k 
> using spack but as I need to modify parts of the source code, a local 
> installation makes things easier.
> 
> *Some system information:*
> 
> $ lsb_release -a:
> LSB Version:    :core-4.1-amd64:core-4.1-ia32:core-4.1-noarch
> Distributor ID: CentOS
> Description:    CentOS Linux release 7.6.1810 (Core)
> Release:        7.6.1810
> Codename:       Core
> $ uname -a:
> Linux arthemis.localdomain 5.0.10-1.el7.elrepo.x86_64 #1 SMP Sat Apr 27 
> 08:40:16 EDT 2019 x86_64 x86_64 x86_64 GNU/Linux
> 
> *Compilers/libraries*:
> 
> $ gfortran --version
> gcc (GCC) 9.2.0
> Copyright (C) 2019 Free Software Foundation, Inc.
> This is free software; see the source for copying conditions.  There is NO
> warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
> $ mpif90 --showme
> /root/usr/bin/gfortran 
> -I/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/openmpi-4.0.1-v5ndqdyuke2sz3umfee2sigg3ymt2qnd/include 
> -fexceptions -pthread 
> -I/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/openmpi-4.0.1-v5ndqdyuke2sz3umfee2sigg3ymt2qnd/lib 
> -L/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/hwloc-1.11.11-relc7hrklipjovl3gbzppgxjb55pc24t/lib 
> -L/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/zlib-1.2.11-j3zdmzqsbyenjda44kvkceohj352n5ga/lib 
> -Wl,-rpath 
> -Wl,/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/hwloc-1.11.11-relc7hrklipjovl3gbzppgxjb55pc24t/lib 
> -Wl,-rpath 
> -Wl,/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/zlib-1.2.11-j3zdmzqsbyenjda44kvkceohj352n5ga/lib 
> -Wl,-rpath 
> -Wl,/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/openmpi-4.0.1-v5ndqdyuke2sz3umfee2sigg3ymt2qnd/lib 
> -L/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/openmpi-4.0.1-v5ndqdyuke2sz3umfee2sigg3ymt2qnd/lib 
> -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi
> 
> I am using Openmpi-4.0.1
> 
> I am compiling with the following optional libraries: FFTW3, libint, 
> libxc, Scalpack. Attached is the arch file.
> 
> *Steps to reproduce error:*
> 
> $ make ARCH=Linux-x86-64-gfortran VERSION=popt
> ...
> ...
> mpif90 -D__F2008 -D__FFTW3 -D__LIBINT -D__LIBXC -D__MPI_VERSION=3 
> -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel 
> -D__SCALAPACK  -O2 -ffast-math -ffree-form -ffree-line-length-none 
> -ftree-vectorize -funroll-loops -mtune=native -std=f2008 
> -I/root/tmp/fftw-3.3.5/include -I/root/tmp/libint-1.1.4/include 
> -I/root/tmp/libxc/include  -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" 
> -D__COMPILE_DATE="\"Mon Sep 16 11:46:43 IDT 2019\"" 
> -D__COMPILE_HOST="\"arthemis.localdomain\"" 
> -D__COMPILE_REVISION="\"svn:18464\"" 
> -D__DATA_DIR="\"/root/tmp/cp2k-6.1.0/share/cp2k-6.1.0/data\"" -static 
> -L/root/tmp/cp2k-6.1.0/share/cp2k-6.1.0/lib/Linux-x86-64-gfortran/popt 
> -o 
> /root/tmp/cp2k-6.1.0/share/cp2k-6.1.0/exe/Linux-x86-64-gfortran/dbcsr_example_1.popt 
> dbcsr_example_1.o  -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock 
> -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm 
> -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase 
> /root/tmp/scalapack-2.0.2/lib/libscalapack.a 
> /root/tmp/blas/lib/liblapack.a /root/tmp/blas/lib/libblas.a 
> /root/tmp/fftw-3.3.5/lib/libfftw3.a /root/tmp/libxc/lib/libxcf03.a 
> /root/tmp/libxc/lib/libxc.a /root/tmp/libint-1.1.4/lib/libderiv.a 
> /root/tmp/libint-1.1.4/lib/libint.a -ldl
> /usr/bin/ld: cannot find -lhwloc
> 
> *What I've tried:*
> 
>   * Linking explicity libhwloc
>       o   based on the mpif90 --showme output, add:
>         -L/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/hwloc-1.11.11-relc7hrklipjovl3gbzppgxjb55pc24t/lib
>         -lhwloc
>       o This only an additional error message: /usr/bin/ld: cannot find
>         -lhwloc
>   * Add the path to LD_LIBRAR_PATH
>       o export
>         LD_LIBRARY_PATH=/root/usr/spack/opt/spack/linux-centos7-x86_64/gcc-9.2.0/hwloc-1.11.11-relc7hrklipjovl3gbzppgxjb55pc24t/lib:$LD_LIBRARY_PATH
>       o No change
>   * Execute ldd command to all lib* to make sure libhwloc is well linked. 
> 
> Any help is appreciated. Thanks
> 
> 
> 
> 
> 
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-- 
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