<div>Hi Tiziano, </div><div> </div><div>Thanks for the suggestion. I will try the single thread compile and see if I can get more information. </div><div> </div><div>Thanks again, </div><div>Sean </div> <div class="gmail_quote"><div dir="auto" class="gmail_attr">On Friday, October 23, 2020 at 12:36:24 AM UTC-7 tiz...@chem.uzh.ch wrote: </div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">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 <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> > <mailto:<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>>. > To view this discussion on the web visit > <a href="https://groups.google.com/d/msgid/cp2k/0a5f0a04-2f2b-4f90-8133-9516b407c957n%40googlegroups.com" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/d/msgid/cp2k/0a5f0a04-2f2b-4f90-8133-9516b407c957n%2540googlegroups.com&source=gmail&ust=1603571669732000&usg=AFQjCNGVwt87kXd7jqHsgdaQzgyFVJtrZQ">https://groups.google.com/d/msgid/cp2k/0a5f0a04-2f2b-4f90-8133-9516b407c957n%40googlegroups.com</a> > <<a href="https://groups.google.com/d/msgid/cp2k/0a5f0a04-2f2b-4f90-8133-9516b407c957n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/d/msgid/cp2k/0a5f0a04-2f2b-4f90-8133-9516b407c957n%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1603571669732000&usg=AFQjCNE8iaTSCaPtPWh7aVbZWJ4zD5-Djw">https://groups.google.com/d/msgid/cp2k/0a5f0a04-2f2b-4f90-8133-9516b407c957n%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" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=http://www.chem.uzh.ch&source=gmail&ust=1603571669732000&usg=AFQjCNGJbbkL5BwyDo6nURoxjkqT45_Dsw">www.chem.uzh.ch</a> <a href data-email-masked rel="nofollow">tiz...@chem.uzh.ch</a> 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