Match comparison for Exchange energy (match type 30834)

Commits > Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 > Input 07-noncollinear.02-acbn0.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.982098414000000e+01 1.550000000000000e-06 -1.982098292218750e+01 8.600717068993887e-07 -1.982098266500000e+01 1.454999999594975e-06 FAIL

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Detailed information

Reference: -19.82098414, precision: 0.00000155
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -1.982098237000000e+01 1.770000000789196e-06 1.141935484380126e+00 FAIL
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.982098273000000e+01 1.409999999424372e-06 9.096774189834657e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.982098270000000e+01 1.440000001906583e-06 9.290322592945696e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -1.982098229000000e+01 1.850000000302998e-06 1.193548387292257e+00 FAIL
foss-serial-min: [foss2023a-serial] -1.982098229000000e+01 1.850000000302998e-06 1.193548387292257e+00 FAIL
foss-serial-min: [foss2022a-serial] -1.982098229000000e+01 1.850000000302998e-06 1.193548387292257e+00 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -1.982098216000000e+01 1.980000000401105e-06 1.277419355097487e+00 FAIL
foss_cmake: [foss2022a-serial, foss-full] -1.982098229000000e+01 1.850000000302998e-06 1.193548387292257e+00 FAIL
foss-serial-min: [foss2023b-serial] -1.982098229000000e+01 1.850000000302998e-06 1.193548387292257e+00 FAIL
foss-serial-full: [foss2023b-serial] -1.982098412000000e+01 2.000000165480742e-08 1.290322687406930e-02 PASS
foss-serial-full: [foss2023a-serial] -1.982098229000000e+01 1.850000000302998e-06 1.193548387292257e+00 FAIL
intel_autotools: [intel2023a-serial] -1.982098137000000e+01 2.770000001817152e-06 1.787096775365905e+00 FAIL
foss-opt-full: [foss2023a-serial] -1.982098229000000e+01 1.850000000302998e-06 1.193548387292257e+00 FAIL
foss-ppc: [foss2022a-serial] -1.982098256000000e+01 1.579999999279380e-06 1.019354838244761e+00 FAIL
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
foss-serial-debug: [foss2023a-serial] -1.982098229000000e+01 1.850000000302998e-06 1.193548387292257e+00 FAIL
intel_omp_autotools: [intel2022a-serial] -1.982098121000000e+01 2.930000000844757e-06 1.890322581190166e+00 FAIL
foss-mpi-opt-full: [foss2023a-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
intel_omp_autotools: [intel2023a-serial] -1.982098303000000e+01 1.109999999471256e-06 7.161290319169394e-01 PASS
foss-omp-full: [foss2023a-serial] -1.982098285000000e+01 1.290000000153668e-06 8.322580646152699e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
foss-mpi-full: [foss2023a-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.982098309000000e+01 1.050000001612261e-06 6.774193558788782e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
foss-mpi-min: [foss2023a-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.982098303000000e+01 1.109999999471256e-06 7.161290319169394e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
foss-mpi-min: [foss2022a-mpi] -1.982098403000000e+01 1.099999984432998e-07 7.096774093116115e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.982098196000000e+01 2.179999999185611e-06 1.406451612377814e+00 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.982098340000000e+01 7.400000008317420e-07 4.774193553753174e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.982098234000000e+01 1.799999999718693e-06 1.161290322399157e+00 FAIL