Hi Christoph, thank you for your response! Unfortunately, it seems like there seems to be an issue with the spack installation itself. This is the error message I am seeing: (goto "========" to see error message)
==> Installing votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh ==> No binary for votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh found: installing from source ==> Fetching https://mirror.spack.io/_source-cache/archive/79/7991137098ff4511f4ca2c6f1b6c45f53d92d9f84e5c0d0e32fbc31768f73a83.tar.gz ==> No patches needed for votca ==> votca: Executing phase: 'cmake' ==> votca: Executing phase: 'build' ==> Error: ProcessError: Command exited with status 2: 'make' '-j16' 4 errors found in build log: ============== ERROR MESSAGE STARTS HERE ======================= 1414 cd /tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/src/libxtp && /scratch/gpfs/satyend/ VOTCA_spack/spack/lib/spack/env/gcc/g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_FILE SYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM _NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -Dvotca_xtp_EXPORTS -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspq kfaobeh7oh/spack-build-haft7z2/xtp/src/libxtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/s rc/libxtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/include -I/scratch/gpfs/satyend/VOTCA _spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/hdf5-1.12.1-earimxvbjgbi2afm4ibrzfxxnid3ftcp/include -I/tmp/satyend/spack-stage/spac k-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/include -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4a rx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/include/votca/xtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh 7oh/spack-src/csg/include -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/tools/include -I/tmp/saty end/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/tools/include -I/tmp/satyend/spack-stage/spack-stage -votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/tools/include/votca/tools -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/ spack/linux-rhel8-skylake_avx512/gcc-8.5.0/boost-1.78.0-kpxditm3jxzcfmjnrukp3sclgydpkbn7/include -isystem /scratch/gpfs/satyend/VOTCA_spack/spac k/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/eigen-3.4.0-6rde23r6gr2p3zvfz2xb4zdgdmkuzbi2/include/eigen3 -isystem /scratch/gpfs/satyend/VOTC A_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/fftw-3.3.10-exhupro2fbjcelooay6xpafglbashmmy/include -isystem /scratch/gpfs/satyend /VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libxc-5.1.7-fpxeg3vxgdtecmc2c72shnssrewzonuu/include -isystem /scratch/gpfs/sa tyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libint-2.6.0-tlcj2fdmzqzisgjqc6dhdlb64aqwy6oh/include -isystem /scratch/g pfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libecpint-1.0.5-avvfllm7bictbjttssrqyydxdwlfdmw4/include/libecpint -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libecpint-1.0.5-avvfllm7bictbjttssrqyydxdwlfdmw4 /include -Wall -Wextra -Wpedantic -Wshadow -Wconversion -march=native -O2 -g -DNDEBUG -fPIC -fopenmp -std=c++17 -MD -MT xtp/src/libxtp/CMakeFile s/votca_xtp.dir/trustregion.cc.o -MF CMakeFiles/votca_xtp.dir/trustregion.cc.o.d -o CMakeFiles/votca_xtp.dir/trustregion.cc.o -c /tmp/satyend/sp ack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/src/libxtp/trustregion.cc 1415 [ 93%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o 1416 cd /tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/src/libxtp && /scratch/gpfs/satyend/ VOTCA_spack/spack/lib/spack/env/gcc/g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_FILE SYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM _NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -Dvotca_xtp_EXPORTS -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspq kfaobeh7oh/spack-build-haft7z2/xtp/src/libxtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/s rc/libxtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/include -I/scratch/gpfs/satyend/VOTCA _spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/hdf5-1.12.1-earimxvbjgbi2afm4ibrzfxxnid3ftcp/include -I/tmp/satyend/spack-stage/spac k-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/include -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4a rx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/include/votca/xtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh 7oh/spack-src/csg/include -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/tools/include -I/tmp/saty end/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/tools/include -I/tmp/satyend/spack-stage/spack-stage -votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/tools/include/votca/tools -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/ spack/linux-rhel8-skylake_avx512/gcc-8.5.0/boost-1.78.0-kpxditm3jxzcfmjnrukp3sclgydpkbn7/include -isystem /scratch/gpfs/satyend/VOTCA_spack/spac k/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/eigen-3.4.0-6rde23r6gr2p3zvfz2xb4zdgdmkuzbi2/include/eigen3 -isystem /scratch/gpfs/satyend/VOTC A_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/fftw-3.3.10-exhupro2fbjcelooay6xpafglbashmmy/include -isystem /scratch/gpfs/satyend /VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libxc-5.1.7-fpxeg3vxgdtecmc2c72shnssrewzonuu/include -isystem /scratch/gpfs/sa tyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libint-2.6.0-tlcj2fdmzqzisgjqc6dhdlb64aqwy6oh/include -isystem /scratch/g pfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libecpint-1.0.5-avvfllm7bictbjttssrqyydxdwlfdmw4/include/libecpint -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libecpint-1.0.5-avvfllm7bictbjttssrqyydxdwlfdmw4 /include -Wall -Wextra -Wpedantic -Wshadow -Wconversion -march=native -O2 -g -DNDEBUG -fPIC -fopenmp -std=c++17 -MD -MT xtp/src/libxtp/CMakeFile s/votca_xtp.dir/version.cc.o -MF CMakeFiles/votca_xtp.dir/version.cc.o.d -o CMakeFiles/votca_xtp.dir/version.cc.o -c /tmp/satyend/spack-stage/sp ack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/src/libxtp/version.cc 1417 [ 94%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o 1418 cd /tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/src/libxtp && /scratch/gpfs/satyend/ VOTCA_spack/spack/lib/spack/env/gcc/g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_FILE SYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM _NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -Dvotca_xtp_EXPORTS -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspq kfaobeh7oh/spack-build-haft7z2/xtp/src/libxtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/s rc/libxtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/include -I/scratch/gpfs/satyend/VOTCA _spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/hdf5-1.12.1-earimxvbjgbi2afm4ibrzfxxnid3ftcp/include -I/tmp/satyend/spack-stage/spac k-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/include -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4a rx2itjszbspqkfaobeh7oh/spack-build-haft7z2/xtp/include/votca/xtp -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh 7oh/spack-src/csg/include -I/tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/tools/include -I/tmp/saty end/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/tools/include -I/tmp/satyend/spack-stage/spack-stage -votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2/tools/include/votca/tools -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/ spack/linux-rhel8-skylake_avx512/gcc-8.5.0/boost-1.78.0-kpxditm3jxzcfmjnrukp3sclgydpkbn7/include -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/eigen-3.4.0-6rde23r6gr2p3zvfz2xb4zdgdmkuzbi2/include/eigen3 -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/fftw-3.3.10-exhupro2fbjcelooay6xpafglbashmmy/include -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libxc-5.1.7-fpxeg3vxgdtecmc2c72shnssrewzonuu/include -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libint-2.6.0-tlcj2fdmzqzisgjqc6dhdlb64aqwy6oh/include -isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libecpint-1.0.5-avvfllm7bictbjttssrqyydxdwlfdmw4/include/libecpint-isystem /scratch/gpfs/satyend/VOTCA_spack/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/libecpint-1.0.5-avvfllm7bictbjttssrqyydxdwlfdmw4 /include -Wall -Wextra -Wpedantic -Wshadow -Wconversion -march=native -O2 -g -DNDEBUG -fPIC -fopenmp -std=c++17 -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -MF CMakeFiles/votca_xtp.dir/xtpapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -c /tmp/s atyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/src/libxtp/xtpapplication.cc 1419 /tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/src/libxtp/tools/gpu_benchmark.cc: In function 'std::pair<double, double> votca::xtp::CalcStatistics(const std::vector<double>&)': >> 1420 /tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/src/libxtp/tools/gpu_benchmark.cc:45:22: error: ' reduce' is not a member of 'std' 1421 double mean = std::reduce(v.begin(), v.end()) / ((double)v.size()); 1422 ^~~~~~ 1423 /tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-src/xtp/src/libxtp/tools/gpu_benchmark.cc:45:22: note: suggested alternative: 'replace' 1424 double mean = std::reduce(v.begin(), v.end()) / ((double)v.size()); 1425 ^~~~~~ 1426 replace >> 1427 make[2]: *** [xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make:1843: xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o] Error 1 1428 make[2]: *** Waiting for unfinished jobs.... 1429 make[2]: Leaving directory '/tmp/satyend/spack-stage/spack-stage-votca-2022haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2' >> 1430 make[1]: *** [CMakeFiles/Makefile2:3179: xtp/src/libxtp/CMakeFiles/votca_xtp.dir/all] Error 2 1431 make[1]: Leaving directory '/tmp/satyend/spack-stage/spack-stage-votca-2022haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-haft7z2' >> 1432 make: *** [Makefile:139: all] Error 2 See build log for details: /tmp/satyend/spack-stage/spack-stage-votca-2022-haft7z2c4arx2itjszbspqkfaobeh7oh/spack-build-out.txt ============================================== What is the nature of this error message? How do I resolve this? On Thursday, February 17, 2022 at 8:36:24 PM UTC-5 Christoph Junghans wrote: > On Thu, Feb 17, 2022 at 5:49 PM Satyen Dhamankar <[email protected]> > wrote: > > > > Hello, > > > > I am getting VOTCA on a new system, and I am using Spack to obtain all > the dependencies. This is done with: > > git clone https://github.com/spack/spack.git spack > > source spack/share/spack/setup-env.sh > > spack install votca-csg@stable > After the latest release please use "spack install votca" instead. > > The other votca-* package are marked deprecated in spack now, I really > need to update the documentation, see: > https://github.com/votca/votca/pull/972 > > > > > However, I do not see the tutorials being pulled from the repo when I do > the above. > > > > I have the following questions: > > 1. How do I pull the csg-tutorials directory and run the tutorials to > check if VOTCA is running accurately? > When you build the "votca" package csg-tutorials will be installed as well. > You can test your install by using "spack install --test root votca" > during the build. > > > 2. Once I have the tutorials, I assume I have to make sure I can run the > commands from terminal. What is the directory that must be added to path? > > I see that > > > > > VOTCA/spack/opt/spack/linux-rhel8-skylake_avx512/gcc-8.5.0/votca-csg-stable-bwf5m4a72i7zn7rnbttdnbsqgs7aq62j/bin > > > > is the location where all of the votca executables are: csg_boltzmann, > csg_inverse, csg_fmatch, etc. > > > > Is this the only location I add to path? Or are there other things I > must add to path to run VOTCA correctly? > Yeah you could add that to your path or just use "spack load votca" > > Christoph > > > > -- > > Join us on Slack: https://join.slack.com/t/votca/signup > > --- > > You received this message because you are subscribed to the Google > Groups "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send > an email to [email protected]. > > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/137b542f-d0a3-419b-b328-55a46e668e82n%40googlegroups.com > . > > > > -- > Christoph Junghans > Web: http://www.compphys.de > -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/5d9a31f1-ad65-4fbe-a80c-0d0432867a42n%40googlegroups.com.
