[CP2K-user] [CP2K:14099] Compiler Errors - make (archs from installer) terminates

[Tiziano Müller]

Hi Sean,

please check the `make` command further up, you will find the cause of 
the error there. Another possibility is to rerun make without `-j 128` 
(to have a single build thread), then it will terminate directly at the 
error.

When you say "AMD optimized libraries" do you mean the ones from the AOCL?

Best regards,
Tiziano

On 10/22/20 10:17 PM, Sean Bradley wrote:
> I am attempting to install CP2K for the first time on an AMD EPYC 
> system. After installing the AMD optimized libraries and other 
> prerequisites, I run the CP2K installer script, leaving out components 
> that have problems, and it generated the arch files. When I try to run 
> the make command, it terminates with a set of errors and no description 
> of what the problem is. I searched around in the cp2k folders and could 
> not find any logs with more details. The last make.log file updated does 
> not appear to have a problem. Below is some of the process/output.
> 
> Where can more information be found about the cause of the problem or 
> how to resolve?
> 
> 
> Toolchain Installer Command:
> 
> ./install_cp2k_toolchain.sh --with-fftw=system --with-scalapack=system 
> --with-cmake=system --with-acml=no --with-mpich=no --with-mkl=no 
> --with-openblas=no --with-spfft=no --with-sirius=no --with-elpa=no 
> --with-libvdwxc=no
> 
> 
> Toolchain Installer Output (replaced arch folder contents with files 
> below):
> 
> ==================== generating arch files ====================
> arch files can be found in the 
> /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch subdirectory
> Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.sopt
> Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.sdbg
> Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.ssmp
> Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.popt
> Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.pdbg
> Wrote /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local.psmp
> Wrote 
> /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local_warn.psmp
> Wrote 
> /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local_coverage.sdbg
> Wrote 
> /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/local_coverage.pdbg
> ========================== usage =========================
> Done!
> Now copy:
>    cp /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/arch/* to 
> the cp2k/arch/ directory
> To use the installed tools and libraries and cp2k version
> compiled with it you will first need to execute at the prompt:
>    source /home/cp2kuser/Downloads/cp2k/tools/toolchain/install/setup
> To build CP2K you should change directory:
>    cd cp2k/
>    make -j 128 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"
> 
> 
> make Command:
> 
> make -j 128 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"
> 
> 
> make (final & error) Output:
> 
> gfortran -c -march=native -fno-omit-frame-pointer -g  -O1      
> -I'/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
> -I'/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/libxc-4.3.4/include' 
> -I'/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/libxsmm-1.14/include' 
> -I'/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/gsl-2.5/include' -I/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/spglib-1.12.2/include 
> -I/home/cp2kuser/Downloads/cp2k/tools/toolchain/install/hdf5-1.10.4/include 
> -ffree-form -std=f2008 -fimplicit-none -fsanitize=leak -fcheck=all 
> -ffpe-trap=invalid,zero,overflow -finit-derived -finit-real=snan 
> -finit-integer=-42 -Werror=realloc-lhs -finline-matmul-limit=0 
> -Werror=aliasing -Werror=ampersand -Werror=c-binding-type 
> -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation 
> -Werror=tabs -Werror=target-lifetime -Werror=underflow 
> -Werror=unused-but-set-variable -Werror=unused-variable 
> -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip 
> -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only  
> -D__LIBXSMM   -D__FFTW3  -D__LIBINT -D__LIBXC   -D__SPGLIB  
> -D__HAS_IEEE_EXCEPTIONS -D__CHECK_DIAG  -D__COMPILE_ARCH="\"local\"" 
> -D__COMPILE_DATE="\"Thu Oct 22 10:33:02 PDT 2020\"" 
> -D__COMPILE_HOST="\"amdtest\"" -D__COMPILE_REVISION="\"git:e635599\"" 
> -D__DATA_DIR="\"/home/cp2kuser/Downloads/cp2k/data\"" 
> -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" 
> -I'/home/cp2kuser/Downloads/cp2k/src/eri_mme/' 
> -I'/home/cp2kuser/Downloads/cp2k/obj/local/sdbg/exts/dbcsr' 
> eri_mme_lattice_summation.F90
> make[2]: *** [all] Error 2
> make[1]: *** [pdbg] Error 2
> make[1]: *** Waiting for unfinished jobs....
> make[2]: *** [all] Error 2
> make[1]: *** [sdbg] Error 2
> make[2]: *** [all] Error 2
> make[1]: *** [sopt] Error 2
> make[2]: *** [all] Error 2
> make[1]: *** [popt] Error 2
> make[2]: *** [all] Error 2
> make[1]: *** [ssmp] Error 2
> make[2]: *** [all] Error 2
> make[1]: *** [psmp] Error 2
> make: *** [all] Error 2
> 
> 
> Last updated make.log file:
> 
> $ tail ./tools/toolchain/build/hdf5-1.10.4/make.log
>    CCLD     h5watch
> make[3]: Leaving directory 
> `/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl/tools/h5watch'
> make[3]: Entering directory 
> `/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl/tools'
> make[3]: Nothing to be done for `all-am'.
> make[3]: Leaving directory 
> `/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl/tools'
> make[2]: Leaving directory 
> `/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl/tools'
> make[2]: Entering directory 
> `/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl'
> make[2]: Nothing to be done for `all-am'.
> make[2]: Leaving directory 
> `/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl'
> make[1]: Leaving directory 
> `/home/cp2kuser/Downloads/cp2k/tools/toolchain/build/hdf5-1.10.4/hl'
> 
> -- 
> 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 view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/0a5f0a04-2f2b-4f90-8133-9516b407c957n%40googlegroups.com 
> <https://groups.google.com/d/msgid/cp2k/0a5f0a04-2f2b-4f90-8133-9516b407c957n%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