Match comparison for External energy (match type 12057)

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090037975926e+03 1.803437727527998e-05 -8.134090026460000e+03 2.214999994976097e-05 PASS

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Detailed information

Reference: -8134.0900461599995, precision: 0.0000551
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2023a_serial_min -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_ppc -8.134090046910000e+03 -7.500002539018169e-07 -1.361161985302753e-02 PASS
spack_foss-2023a_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2023a_serial_opt -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
spack_foss-2023b_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2023a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_foss-2023a_serial_omp -8.134090048440000e+03 -2.280000444443431e-06 -4.137931841095156e-02 PASS
spack_intel-2022a_serial_omp -8.134090048580000e+03 -2.420000782876741e-06 -4.392015939885193e-02 PASS
spack_foss-2023a_mpi_opt -8.134090048610000e+03 -2.450000465614721e-06 -4.446461825072089e-02 PASS
spack_foss-2023a_serial_debug -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2023a_mpi -8.134090047060000e+03 -9.000004865811206e-07 -1.633394712488422e-02 PASS
cmake_foss_2022a_full_mpi -8.134090048590000e+03 -2.430000677122734e-06 -4.410164568280825e-02 PASS
spack_foss-2023a_mpi_debug -8.134090048280000e+03 -2.120000317518134e-06 -3.847550485513854e-02 PASS
spack_foss-2022a_cuda_serial -8.134090048180000e+03 -2.020000465563498e-06 -3.666062550931939e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.134090044100000e+03 2.059999133052770e-06 3.738655413888875e-02 PASS
spack_foss-2023a_mpi_omp -8.134090048300000e+03 -2.140000106010120e-06 -3.883847742305119e-02 PASS
cmake_foss_2022a_min_serial -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
cmake_foss_2022a_full_serial -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
cmake_foss_2022a_min_mpi -8.134090047570000e+03 -1.410000550094992e-06 -2.558984664419223e-02 PASS
spack_intel-2023a_serial -8.134090043750000e+03 2.409999069641344e-06 4.373864010238374e-02 PASS
spack_foss-2022a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_intel-2022a_impi_omp -8.134090046680000e+03 -5.200008672545664e-07 -9.437402309520261e-03 PASS
spack_foss-2022a_mpi -8.134090048140000e+03 -1.980000888579525e-06 -3.593468037349411e-02 PASS
spack_intel-2023a_serial_omp -8.134090046560000e+03 -4.000003173132427e-07 -7.259533889532536e-03 PASS
spack_intel-2023a_impi -8.134090048550000e+03 -2.390000190644059e-06 -4.337568404072703e-02 PASS