Match comparison for Hartree energy (match type 21129)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
3.596187412000000e+01 | 4.250000000000000e-02 | 3.597393464629630e+01 | 1.186472927410985e-02 | 3.596511049500000e+01 | 1.902474499999940e-02 | PASS |
Checks for this match
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Detailed information
Reference: 35.96187412, precision: 0.0425Run | Value | Difference | Relative difference | Status |
foss_cmake: [foss2022a-serial, foss-min] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_min_autotools: [foss2023b-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_cmake: [foss2022a-serial, foss-full] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_min_autotools: [foss2023a-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_min_autotools: [foss2022a-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_autotools: [foss2023b-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_opt_autotools: [foss2023a-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_autotools: [foss2023a-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_autotools: [foss2022a-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
intel_autotools: [intel2023a-serial] | 3.596194761000000e+01 | 7.349000000544947e-05 | 1.729176470716458e-03 | PASS |
foss_cmake: [foss2023a-mpi, foss-min-mpi] | 3.598413326000000e+01 | 2.225914000000273e-02 | 5.237444705882995e-01 | PASS |
foss_mpi_min_autotools: [foss2023a-mpi] | 3.598413326000000e+01 | 2.225914000000273e-02 | 5.237444705882995e-01 | PASS |
foss_mpi_min_autotools: [foss2022a-mpi] | 3.598413326000000e+01 | 2.225914000000273e-02 | 5.237444705882995e-01 | PASS |
foss_cmake: [foss2022a-mpi, foss-full-mpi] | 3.596194782000000e+01 | 7.370000000150867e-05 | 1.734117647094322e-03 | PASS |
foss_cmake: [foss2023a-mpi, foss-full-mpi] | 3.596194782000000e+01 | 7.370000000150867e-05 | 1.734117647094322e-03 | PASS |
foss_omp_autotools: [foss2023a-serial] | 3.596194829000000e+01 | 7.417000000486951e-05 | 1.745176470702812e-03 | PASS |
foss_mpi_opt_autotools: [foss2023a-mpi] | 3.596194782000000e+01 | 7.370000000150867e-05 | 1.734117647094322e-03 | PASS |
foss_mpi_autotools: [foss2022a-mpi] | 3.596194782000000e+01 | 7.370000000150867e-05 | 1.734117647094322e-03 | PASS |
foss_debug_autotools: [foss2023a-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
foss_mpi_autotools: [foss2023a-mpi] | 3.596194782000000e+01 | 7.370000000150867e-05 | 1.734117647094322e-03 | PASS |
foss_ppc_autotools: [foss2022a-serial] | 3.596194832000000e+01 | 7.420000000024629e-05 | 1.745882352946971e-03 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | 3.596194774000000e+01 | 7.362000000199487e-05 | 1.732235294164585e-03 | PASS |
foss_cuda_autotools: [foss2022a-cuda-mpi] | 3.594608575000000e+01 | -1.578836999999567e-02 | -3.714910588234274e-01 | PASS |
foss_mpi_debug_autotools: [foss2023a-mpi] | 3.596194782000000e+01 | 7.370000000150867e-05 | 1.734117647094322e-03 | PASS |
foss_cmake: [foss2022a-mpi, foss-min-mpi] | 3.598413326000000e+01 | 2.225914000000273e-02 | 5.237444705882995e-01 | PASS |
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 3.598413226000000e+01 | 2.225814000000526e-02 | 5.237209411765942e-01 | PASS |
foss_mpi_omp_autotools: [foss2023a-mpi] | 3.596865312000000e+01 | 6.779000000001645e-03 | 1.595058823529799e-01 | PASS |