Match comparison for External energy (match type 12057)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090037132500e+03 1.895400728032416e-05 -8.134090026455000e+03 2.214500000263797e-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_serial_opt -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
spack_foss-2022a_serial -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-2022a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_foss-2023a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_foss-2022a_serial_debug -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_mpi_opt -8.134090048600000e+03 -2.440000571368728e-06 -4.428313196676457e-02 PASS
spack_intel-2022a_serial_omp -8.134090048580000e+03 -2.420000782876741e-06 -4.392015939885193e-02 PASS
spack_foss-2022a_mpi -8.134090047830000e+03 -1.670000528974924e-06 -3.030853954582440e-02 PASS
spack_foss-2022a_cuda_serial -8.134090048180000e+03 -2.020000465563498e-06 -3.666062550931939e-02 PASS
spack_intel-2023a_impi -8.134090047860000e+03 -1.700000211712904e-06 -3.085299839769336e-02 PASS
spack_foss-2022a_mpi_debug -8.134090047800000e+03 -1.640000846236944e-06 -2.976408069395543e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.134090048010000e+03 -1.850000444392208e-06 -3.357532566955006e-02 PASS
spack_intel-2022a_impi_omp -8.134090048100000e+03 -1.940000402100850e-06 -3.520871873141289e-02 PASS