Match comparison for External energy (match type 12057)

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090038042223e+03 1.807374076635025e-05 -8.134090026465000e+03 2.215499989688396e-05 PASS

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Detailed information

Reference: -8134.0900461599995, precision: 0.0000551
Run Value Difference Relative difference Status
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
spack_foss-2022a_serial_min -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
cmake_foss_2022a_min_mpi -8.134090048060000e+03 -1.900000825116877e-06 -3.448277359558759e-02 PASS
spack_foss-2022a_ppc -8.134090046910000e+03 -7.500002539018169e-07 -1.361161985302753e-02 PASS
spack_foss-2022a_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
cmake_foss_2022a_full_mpi -8.134090048500000e+03 -2.340000719414093e-06 -4.246825262094542e-02 PASS
spack_foss-2022a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_foss-2022a_mpi -8.134090047520000e+03 -1.360000169370323e-06 -2.468239871815469e-02 PASS
spack_foss-2023a_mpi -8.134090048550000e+03 -2.390000190644059e-06 -4.337568404072703e-02 PASS
spack_foss-2023a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_foss-2023a_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2023a_mpi_opt -8.134090048400000e+03 -2.240000867459457e-06 -4.065337327512627e-02 PASS
spack_foss-2023a_mpi_debug -8.134090047660000e+03 -1.500000507803634e-06 -2.722323970605506e-02 PASS
spack_foss-2023a_serial_debug -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_cuda_serial -8.134090048180000e+03 -2.020000465563498e-06 -3.666062550931939e-02 PASS
spack_foss-2023a_mpi_omp -8.134090048620000e+03 -2.460000359860715e-06 -4.464610453467722e-02 PASS
spack_foss-2023a_serial_opt -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
spack_foss-2023a_serial_omp -8.134090048440000e+03 -2.280000444443431e-06 -4.137931841095156e-02 PASS
spack_foss-2023b_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.134090043530000e+03 2.629999471537303e-06 4.773138786819062e-02 PASS
spack_intel-2023a_serial -8.134090043750000e+03 2.409999069641344e-06 4.373864010238374e-02 PASS
spack_intel-2022a_serial_omp -8.134090048580000e+03 -2.420000782876741e-06 -4.392015939885193e-02 PASS
spack_intel-2023a_serial_omp -8.134090046560000e+03 -4.000003173132427e-07 -7.259533889532536e-03 PASS
spack_intel-2023a_impi -8.134090048230000e+03 -2.070000846288167e-06 -3.756807343535693e-02 PASS
spack_intel-2022a_impi_omp -8.134090048600000e+03 -2.440000571368728e-06 -4.428313196676457e-02 PASS