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 | 3.598196150941176e+01 | 4.298021034954584e-02 | 3.605299084000000e+01 | 9.104354000000114e-02 | FAIL |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: 35.96187412, precision: 0.0425| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 3.596194748000000e+01 | 7.336000000179865e-05 | 1.726117647101145e-03 | PASS |
| foss-serial: [foss2023a-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 3.596194738000000e+01 | 7.326000000063004e-05 | 1.723764705897177e-03 | PASS |
| ppc: [foss2023a-serial] | 3.596194832000000e+01 | 7.420000000024629e-05 | 1.745882352946971e-03 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 3.596865312000000e+01 | 6.779000000001645e-03 | 1.595058823529799e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 3.596865312000000e+01 | 6.779000000001645e-03 | 1.595058823529799e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 3.596194738000000e+01 | 7.326000000063004e-05 | 1.723764705897177e-03 | PASS |
| foss-parallel: [foss2023a-mpi] | 3.596865312000000e+01 | 6.779000000001645e-03 | 1.595058823529799e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 3.601982483000000e+01 | 5.795071000000007e-02 | 1.363546117647060e+00 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 3.596194730000000e+01 | 7.318000000111624e-05 | 1.721882352967441e-03 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 3.598413524000000e+01 | 2.226112000000313e-02 | 5.237910588236031e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 3.597016024000000e+01 | 8.286120000001063e-03 | 1.949675294117897e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 3.596194748000000e+01 | 7.336000000179865e-05 | 1.726117647101145e-03 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 3.596194738000000e+01 | 7.326000000063004e-05 | 1.723764705897177e-03 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 3.596732841000000e+01 | 5.454290000002970e-03 | 1.283362352941875e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 3.614403438000000e+01 | 1.821602600000034e-01 | 4.286123764705962e+00 | FAIL |