Match comparison for Hartree energy (match type 28834)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 07-noncollinear.02-acbn0.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.647640595000000e+01 1.320000000000000e-02 1.648827523814815e+01 6.800045748994136e-05 1.648821780500000e+01 1.288850000005226e-04 PASS

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Detailed information

Reference: 16.47640595, precision: 0.0132
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
cmake_foss_2022a_full_serial 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2022a_serial 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2022a_ppc 1.648833238000000e+01 1.192642999999904e-02 9.035174242423518e-01 PASS
spack_foss-2022a_mpi_min 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 1.648825182000000e+01 1.184586999999837e-02 8.974143939392705e-01 PASS
cmake_foss_2022a_full_mpi 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
spack_foss-2022a_mpi 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
cmake_foss_2022a_min_serial 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2023a_mpi 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
cmake_foss_2022a_min_mpi 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 1.648829608000000e+01 1.189013000000116e-02 9.007674242425124e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 1.648808892000000e+01 1.168296999999896e-02 8.850734848484061e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 1.648828136000000e+01 1.187540999999825e-02 8.996522727271404e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 1.648810769000000e+01 1.170173999999946e-02 8.864954545454137e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 1.648829608000000e+01 1.189013000000116e-02 9.007674242425124e-01 PASS
spack_foss-2023a_mpi_debug 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 1.648833238000000e+01 1.192642999999904e-02 9.035174242423518e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2023a_mpi_min 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2023a_serial 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 1.648819064000000e+01 1.178468999999893e-02 8.927795454544646e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
spack_foss-2023a_mpi_opt 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
spack_foss-2023a_serial_debug 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2023a_serial_min 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2023a_serial_opt 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2023a_mpi_omp 1.648819064000000e+01 1.178468999999893e-02 8.927795454544646e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 1.648809405000000e+01 1.168810000000065e-02 8.854621212121701e-01 PASS
spack_foss-2023b_serial 1.648830823000000e+01 1.190228000000104e-02 9.016878787879578e-01 PASS
spack_foss-2023a_serial_omp 1.648808892000000e+01 1.168296999999896e-02 8.850734848484061e-01 PASS
spack_intel-2023a_serial 1.648829608000000e+01 1.189013000000116e-02 9.007674242425124e-01 PASS
spack_intel-2022a_serial_omp 1.648810769000000e+01 1.170173999999946e-02 8.864954545454137e-01 PASS
spack_intel-2023a_serial_omp 1.648828136000000e+01 1.187540999999825e-02 8.996522727271404e-01 PASS
spack_intel-2023a_impi 1.648829608000000e+01 1.189013000000116e-02 9.007674242425124e-01 PASS
spack_intel-2022a_impi_omp 1.648809405000000e+01 1.168810000000065e-02 8.854621212121701e-01 PASS
spack_foss-2022a_cuda_mpi_omp 1.648834669000000e+01 1.194074000000001e-02 9.046015151515155e-01 PASS
spack_foss-2022a_cuda_serial 1.648825182000000e+01 1.184586999999837e-02 8.974143939392705e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 1.648829886000000e+01 1.189291000000026e-02 9.009780303030497e-01 PASS