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

[Sean Bradley]

Hi Tiziano, 

Thanks for the suggestion. I will try the single thread compile and see if 
I can get more information. 

Thanks again, 
Sean

On Friday, October 23, 2020 at 12:36:24 AM UTC-7 tiz... at chem.uzh.ch 
wrote:

> 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'
> > 
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> 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
> tiz... at chem.uzh.ch
>
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