Started by timer
Building on master in workspace /var/lib/jenkins/workspace/qmcpack-spp
executing script:
set -v
rm -rf qmcpack-spp
tar xzf /projects/bluewaters/benchmarking/SPP/qmcpack/qmcpack_spp_20180220.tgz
cd qmcpack-spp/qmcpack-3.2.0/build
./build_script_cpu_complex
cd ../../runs/cpu_100
MYJOBID=`qsub bw.pbs`
echo MYJOBID=$MYJOBID
~arnoldg/ior/wait_for.sh $MYJOBID
MYREAL=`grep real qmcpack.err | cut -d' ' -f2`
echo MYREAL=$MYREAL
echo YVALUE=$MYREAL > ~/qmcpack-spp/realtime.txt
./energy.pl gr4x4x1.p400x8.s001.scalar.dat 0 | grep LocalEnergy | awk '{print $3}'
rm -rf qmcpack-spp
tar xzf /projects/bluewaters/benchmarking/SPP/qmcpack/qmcpack_spp_20180220.tgz
cd qmcpack-spp/qmcpack-3.2.0/build
./build_script_cpu_complex
Currently Loaded Modulefiles:
1) modules/3.2.10.4
2) eswrap/1.3.3-1.020200.1280.0
3) craype-network-gemini
4) craype-interlagos
5) craype/2.5.8
6) cray-mpich/7.5.0
7) torque/6.0.4
8) moab/9.1.2-sles11
9) java/jdk1.8.0_51
10) globus/5.2.5
11) gsissh/6.2p2
12) xalt/0.7.6.local
13) scripts
14) OpenSSL/1.0.2m
15) cURL/7.56.1
16) git/2.15.0
17) wget/1.19.2
18) user-paths
19) gnuplot/5.0.5
20) darshan/3.1.3
21) gcc/4.9.3
22) cray-libsci/16.11.1
23) udreg/2.3.2-1.0502.10518.2.17.gem
24) ugni/6.0-1.0502.10863.8.28.gem
25) pmi/5.0.10-1.0000.11050.179.3.gem
26) dmapp/7.0.1-1.0502.11080.8.74.gem
27) gni-headers/4.0-1.0502.10859.7.8.gem
28) xpmem/0.1-2.0502.64982.5.3.gem
29) dvs/2.5_0.9.0-1.0502.2188.1.113.gem
30) alps/5.2.4-2.0502.9774.31.12.gem
31) rca/1.0.0-2.0502.60530.1.63.gem
32) atp/2.0.4
33) PrgEnv-gnu/5.2.82
34) cray-hdf5/1.10.0
35) fftw/3.3.4.10
36) boost/1.53.0
37) cmake/3.1.3
38) craype-hugepages2M
-- The C compiler identification is GNU 4.9.3
-- The CXX compiler identification is GNU 4.9.3
-- Check for working C compiler: /opt/cray/craype/default/bin/cc
-- Check for working C compiler: /opt/cray/craype/default/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /opt/cray/craype/default/bin/CC
-- Check for working CXX compiler: /opt/cray/craype/default/bin/CC -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
Base precision = double
Full precision = double
-- Detecting CXX compile features - done
-- QMC_SYMLINK_TEST_FILES = TRUE. Using symbolic links for large test files may cause test failures if the build is installed on a separate filesystem from the source. For example, Titan at OLCF.
-- CMAKE_BUILD_TYPE is
-- defining the float point precision
-- Looking for sincos
-- Looking for sincos - found
-- Looking for posix_memalign
-- Looking for posix_memalign - found
-- Looking for dlfcn.h
-- Looking for dlfcn.h - found
-- Looking for inttypes.h
-- Looking for inttypes.h - found
-- Looking for memory.h
-- Looking for memory.h - found
-- Looking for sys/stat.h
-- Looking for sys/stat.h - found
-- Looking for sys/time.h
-- Looking for sys/time.h - found
-- Looking for sys/types.h
-- Looking for sys/types.h - found
-- Looking for unistd.h
-- Looking for unistd.h - found
-- Found Git: /sw/EasyBuild/software/git/2.15.0/bin/git (found version "2.15.0")
-- Using /mnt/a/u/system/bwjenkins/qmcpack-spp/qmcpack-3.2.0/config/attic/BWGNU.cmake toolchain
-- Performing Test CXX_COMPILER_SUPPORT_CXX11
-- Performing Test CXX_COMPILER_SUPPORT_CXX11 - Success
-- MPI runner is mpirun
-- CXX compiler flags: -std=c++11
-- CC compiler flags:
-- Looking for include file pthread.h
-- Looking for include file pthread.h - found
-- Looking for pthread_create
-- Looking for pthread_create - found
-- Found Threads: TRUE
-- FFTW_INCLUDE_DIR=/opt/cray/fftw/default/interlagos/include
-- FFTW_LIBRARIES=/opt/cray/fftw/default/interlagos/lib/libfftw3.a
-- Found FFTW
-- Found ZLIB: /usr/lib64/libz.a (found version "1.2.7")
-- Trying libxml2 via LIBXML2_HOME
-- LIBXML2_INCLUDE_DIR=/usr/include/libxml2/libxml
-- LIBXML2_LIBRARIES=/usr/lib64/libxml2.a
-- Libxml2 found by FindLibxml2QMC
-- Found HDF5: /opt/cray/hdf5/default/GNU/4.9/lib/libhdf5.a
-- Using HDF5 non-scalable serial I/O due to the lack of library support for parallel
-- Boost version: 1.53.0
-- Setting Boost_INCLUDE_DIRS=/sw/xe/boost/default/sles11.3_gnu4.8.2/include
-- Disabling CUDA
-- Ready to build qmcpack
Adding tests for QMCPACK
Skipping all gaussian basis tests because they are not supported by complex build (QMC_COMPLEX=1)
Adding test short-LiH_solid_1x1x1_pp-gamma-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-gamma-drift-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-x-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-x-drift-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-arb-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-arb-drift-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-gamma-dmc-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-x-dmc-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-arb-dmc-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-gamma-dmcnl-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-x-dmcnl-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-arb-dmcnl-hf_noj-1-16
Adding test short-bccH_1x1x1_ae-vmc_sdj-1-16
Adding test short-bccH_1x1x1_ae-dmc_sdj-1-16
Adding test short-bccH_1x1x1_ae-vmc-all-nodrift_sdj-1-16
Adding test short-bccH_1x1x1_ae-vmc-all_sdj-1-16
Adding test short-bccH_1x1x1_ae-dmc-all_sdj-1-16
Adding test short-bccH_1x1x1_ae-csvmc-pbyp-nodrift_sdj-16-1
Adding test short-bccH_1x1x1_ae-csvmc-all-nodrift_sdj-16-1
Adding test short-bccH_1x1x1_ae-csvmc-all_sdj-16-1
Adding test short-bccH_1x1x1_ae-rmc_sdj-1-16
Adding test short-bccH_1x1x1_ae-rmc_sdj-4-4
Adding test short-bccH_1x1x1_ae-vmc_sdj-pw-1-16
Adding test short-diamondC_1x1x1_pp-vmc_sdj-1-16
Adding test short-diamondC_1x1x1_pp-vmc_sdj-meshf-1-16
Adding test short-diamondC_1x1x1_pp-opt_sdj-1-16
Adding test short-diamondC_1x1x1_pp-dmc_sdj-1-16
Adding test short-diamondC_2x1x1_pp-vmc_sdj-1-16
Adding test short-diamondC_2x1x1_pp-dmc_sdj-1-16
Adding test short-hcpBe_1x1x1_pp-vmc_sdj-1-16
Adding test short-monoO_1x1x1_pp-vmc_sdj-1-16
Adding test long-bccH_1x1x1_ae-vmc_sdj-1-16
Adding test long-bccH_1x1x1_ae-dmc_sdj-1-16
Adding test long-bccH_1x1x1_ae-rmc_sdj-1-16
Adding test long-diamondC_1x1x1_pp-vmc_sdj-1-16
Adding test long-diamondC_1x1x1_pp-vmc_sdj-meshf-1-16
Adding test long-diamondC_1x1x1_pp-dmc_sdj-1-16
Adding test long-diamondC_2x1x1_pp-vmc_sdj-1-16
Adding test long-diamondC_2x1x1_pp-dmc_sdj-1-16
Adding test long-hcpBe_1x1x1_pp-vmc_sdj-1-16
Adding test long-monoO_1x1x1_pp-vmc_sdj-1-16
Adding estimator tests for QMCPACK
Missing python module h5py, not adding test estimator-skinetic
Missing python module pandas, not adding test estimator-latdev
Missing python module h5py, not adding test estimator-latdev
Adding I/O tests for QMCPACK
Adding test restart-8-2
Adding test restart-1-16
Adding performance tests for QMCPACK
QMC_DATA not set. Performance tests not added.
QMC_DATA not set. Performance tests not added.
Adding example tests for QMCPACK
-- Configuring done
Base precision = double
Full precision = double
-- Generating done
-- Build files have been written to: /mnt/a/u/system/bwjenkins/qmcpack-spp/qmcpack-3.2.0/build
-- QMC_SYMLINK_TEST_FILES = TRUE. Using symbolic links for large test files may cause test failures if the build is installed on a separate filesystem from the source. For example, Titan at OLCF.
-- CMAKE_BUILD_TYPE is
-- defining the float point precision
-- Using ../config/attic/BWGNU.cmake toolchain
-- MPI runner is mpirun
-- CXX compiler flags: -std=c++11 -march=bdver1 -msse -msse2 -msse3 -msse4.1 -D_CRAYMPI -fopenmp -O3 -Drestrict=__restrict__ -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -Wno-deprecated -ffast-math -funroll-loops -fomit-frame-pointer -malign-double -DDISABLE_TIMER=1 -DHAVE_FMA4=1 -DHAVE_AMDLIBM=1 -DENABLE_SOA=1 -DQMC_MIXED_PRECISION=1 -D__forceinline="__attribute__((always_inline))" -ftemplate-depth-60 -DADD_ -DINLINE_ALL=inline
-- CC compiler flags: -march=bdver1 -msse -msse2 -msse3 -msse4.1 -D_CRAYMPI -fopenmp -O3 -Drestrict=__restrict__ -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -Wno-deprecated -ffast-math -funroll-loops -fomit-frame-pointer -malign-double -DDISABLE_TIMER=1 -DHAVE_FMA4=1 -DHAVE_AMDLIBM=1 -DENABLE_SOA=1 -DQMC_MIXED_PRECISION=1 -D__forceinline="__attribute__((always_inline))" -std=c99
-- FFTW_INCLUDE_DIR=/opt/cray/fftw/default/interlagos/include
-- FFTW_LIBRARIES=/opt/cray/fftw/default/interlagos/lib/libfftw3.a
-- Found FFTW
-- Trying libxml2 via LIBXML2_HOME
-- LIBXML2_INCLUDE_DIR=/usr/include/libxml2/libxml
-- LIBXML2_LIBRARIES=/usr/lib64/libxml2.a
-- Libxml2 found by FindLibxml2QMC
-- Using HDF5 non-scalable serial I/O due to the lack of library support for parallel
-- Boost version: 1.53.0
-- Setting Boost_INCLUDE_DIRS=/sw/xe/boost/default/sles11.3_gnu4.8.2/include
-- Disabling CUDA
-- Ready to build qmcpack
Adding tests for QMCPACK
Skipping all gaussian basis tests because they are not supported by complex build (QMC_COMPLEX=1)
Adding test short-LiH_solid_1x1x1_pp-gamma-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-gamma-drift-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-x-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-x-drift-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-arb-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-arb-drift-vmc_hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-gamma-dmc-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-x-dmc-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-arb-dmc-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-gamma-dmcnl-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-x-dmcnl-hf_noj-1-16
Adding test short-LiH_solid_1x1x1_pp-arb-dmcnl-hf_noj-1-16
Adding test short-bccH_1x1x1_ae-vmc_sdj-1-16
Adding test short-bccH_1x1x1_ae-dmc_sdj-1-16
Adding test short-bccH_1x1x1_ae-vmc-all-nodrift_sdj-1-16
Adding test short-bccH_1x1x1_ae-vmc-all_sdj-1-16
Adding test short-bccH_1x1x1_ae-dmc-all_sdj-1-16
Adding test short-bccH_1x1x1_ae-csvmc-pbyp-nodrift_sdj-16-1
Adding test short-bccH_1x1x1_ae-csvmc-all-nodrift_sdj-16-1
Adding test short-bccH_1x1x1_ae-csvmc-all_sdj-16-1
Adding test short-bccH_1x1x1_ae-rmc_sdj-1-16
Adding test short-bccH_1x1x1_ae-rmc_sdj-4-4
Adding test short-bccH_1x1x1_ae-vmc_sdj-pw-1-16
Adding test short-diamondC_1x1x1_pp-vmc_sdj-1-16
Adding test short-diamondC_1x1x1_pp-vmc_sdj-meshf-1-16
Adding test short-diamondC_1x1x1_pp-opt_sdj-1-16
Adding test short-diamondC_1x1x1_pp-dmc_sdj-1-16
Adding test short-diamondC_2x1x1_pp-vmc_sdj-1-16
Adding test short-diamondC_2x1x1_pp-dmc_sdj-1-16
Adding test short-hcpBe_1x1x1_pp-vmc_sdj-1-16
Adding test short-monoO_1x1x1_pp-vmc_sdj-1-16
Adding test long-bccH_1x1x1_ae-vmc_sdj-1-16
Adding test long-bccH_1x1x1_ae-dmc_sdj-1-16
Adding test long-bccH_1x1x1_ae-rmc_sdj-1-16
Adding test long-diamondC_1x1x1_pp-vmc_sdj-1-16
Adding test long-diamondC_1x1x1_pp-vmc_sdj-meshf-1-16
Adding test long-diamondC_1x1x1_pp-dmc_sdj-1-16
Adding test long-diamondC_2x1x1_pp-vmc_sdj-1-16
Adding test long-diamondC_2x1x1_pp-dmc_sdj-1-16
Adding test long-hcpBe_1x1x1_pp-vmc_sdj-1-16
Adding test long-monoO_1x1x1_pp-vmc_sdj-1-16
Adding estimator tests for QMCPACK
Missing python module h5py, not adding test estimator-skinetic
Missing python module pandas, not adding test estimator-latdev
Missing python module h5py, not adding test estimator-latdev
Adding I/O tests for QMCPACK
Adding test restart-8-2
Adding test restart-1-16
Adding performance tests for QMCPACK
QMC_DATA not set. Performance tests not added.
QMC_DATA not set. Performance tests not added.
Adding example tests for QMCPACK
-- Configuring done
-- Generating done
-- Build files have been written to: /mnt/a/u/system/bwjenkins/qmcpack-spp/qmcpack-3.2.0/build
Scanning dependencies of target qmcfakerng
[ 0%] Building CXX object src/CMakeFiles/qmcfakerng.dir/Utilities/FakeRandom.cpp.o
Scanning dependencies of target einspline
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[ 1%] Building C object src/einspline/CMakeFiles/einspline.dir/bspline_create.c.o
[ 1%] Building CXX object src/OOMPI/CMakeFiles/oompi.dir/Cart_comm.cc.o
Linking CXX static library ../lib/libqmcfakerng.a
[ 1%] Built target qmcfakerng
[ 1%] Building CXX object src/OOMPI/CMakeFiles/oompi.dir/Constants.cc.o
[ 1%] Building C object src/einspline/CMakeFiles/einspline.dir/bspline_data.c.o
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[ 2%] Building CXX object src/formic/utils/CMakeFiles/formic_utils.dir/matrix.cpp.o
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Scanning dependencies of target qmcbase
[ 3%] Building CXX object src/OOMPI/CMakeFiles/oompi.dir/Group.cc.o
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Linking CXX static library ../lib/libadios_config.a
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[ 4%] Built target adios_config
[ 4%] Building C object src/einspline/CMakeFiles/einspline.dir/nubasis.c.o
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Scanning dependencies of target qmcwfs
[ 5%] Building CXX object src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/OrbitalBase.cpp.o
[ 5%] Building CXX object src/OOMPI/CMakeFiles/oompi.dir/Linked_list.cc.o
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[ 6%] Building CXX object src/formic/utils/CMakeFiles/formic_utils.dir/numeric.cpp.o
[ 7%] Building CXX object src/CMakeFiles/qmcutil.dir/qmc_common.cpp.o
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[ 14%] Building CXX object src/QMCWaveFunctions/CMakeFiles/qmcwfs.dir/ProductOrbital.cpp.o
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Building CXX object src/QMCWaveFunctions/tests/CMakeFiles/test_wavefunction.dir/test_einset.cpp.o
Scanning dependencies of target qmcpack
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Building CXX object src/QMCDrivers/tests/CMakeFiles/test_drivers.dir/test_vmc.cpp.o
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Linking CXX executable ../../../tests/bin/test_estimators
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[ 99%] Built target test_estimators
[100%] Building CXX object src/QMCApp/tests/CMakeFiles/test_qmcapp.dir/test_particle_pool.cpp.o
[100%] Built target test_wavefunction
[100%] Building CXX object src/QMCApp/tests/CMakeFiles/test_qmcapp.dir/test_wavefunction_pool.cpp.o
[100%] Building CXX object src/QMCHamiltonians/tests/CMakeFiles/test_hamiltonian.dir/test_force.cpp.o
[100%] Building CXX object src/QMCHamiltonians/tests/CMakeFiles/test_hamiltonian.dir/test_ecp.cpp.o
Linking CXX executable ../../../tests/bin/test_drivers
Linking CXX executable ../../../tests/bin/test_qmcapp
[100%] Built target test_drivers
[100%] Built target test_qmcapp
Linking CXX executable ../../../tests/bin/test_hamiltonian
cd ../../runs/cpu_100
MYJOBID=`qsub bw.pbs`
qsub bw.pbs
[100%] Built target test_hamiltonian
INFO: Job submitted to account: jnc
echo MYJOBID=$MYJOBID
~arnoldg/ior/wait_for.sh $MYJOBID
MYJOBID=8339738.bw
=== RUNNING /u/staff/arnoldg/ior/wait_for.sh ===
Mon Mar 26 01:40:25 CDT 2018: waiting for 8339738.bw to finish
Mon Mar 26 01:45:25 CDT 2018: waiting for 8339738.bw to finish
Mon Mar 26 01:50:25 CDT 2018: waiting for 8339738.bw to finish
Mon Mar 26 01:55:25 CDT 2018: waiting for 8339738.bw to finish
Mon Mar 26 02:00:25 CDT 2018: waiting for 8339738.bw to finish
Mon Mar 26 02:05:26 CDT 2018: waiting for 8339738.bw to finish
Mon Mar 26 02:10:26 CDT 2018: waiting for 8339738.bw to finish
Mon Mar 26 02:15:26 CDT 2018: waiting for 8339738.bw to finish
qstat: Unknown Job Id Error 8339738.bw
MYREAL=`grep real qmcpack.err | cut -d' ' -f2`
grep real qmcpack.err | cut -d' ' -f2
echo MYREAL=$MYREAL
echo YVALUE=$MYREAL > ~/qmcpack-spp/realtime.txt
./energy.pl gr4x4x1.p400x8.s001.scalar.dat 0 | grep LocalEnergy | awk '{print $3}'
8339738.bw finished
MYREAL=1387.93
-364.913
[SSH] exit-status: 0
[qmcpack-spp] $ /bin/sh -xe /tmp/jenkins5996226179601329242.sh
+ rm -rf /var/lib/jenkins/workspace/qmcpack-spp/realtime.txt
+ scp 'BW_REMOTE:~/qmcpack-spp/*.txt' /var/lib/jenkins/workspace/qmcpack-spp
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Blue Waters Admin Team
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/qmcpack-spp/realtime.txt
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
