Match comparison for External energy (match type 12057)

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090037668889e+03 1.794532815419739e-05 -8.134090026445000e+03 2.213500010839198e-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-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-2022a_ppc -8.134090046910000e+03 -7.500002539018169e-07 -1.361161985302753e-02 PASS
spack_foss-2023a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_foss-2022a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_foss-2023a_serial_debug -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2023a_serial_omp -8.134090048440000e+03 -2.280000444443431e-06 -4.137931841095156e-02 PASS
spack_foss-2023a_mpi_opt -8.134090047760000e+03 -1.600000359758269e-06 -2.903811905187421e-02 PASS
spack_foss-2022a_mpi -8.134090038830000e+03 7.329999789362773e-06 1.330308491717382e-01 PASS
spack_foss-2023a_mpi -8.134090047800000e+03 -1.640000846236944e-06 -2.976408069395543e-02 PASS
cmake_foss_2022a_full_mpi -8.134090048480000e+03 -2.320000930922106e-06 -4.210528005303277e-02 PASS
spack_foss-2022a_cuda_serial -8.134090048180000e+03 -2.020000465563498e-06 -3.666062550931939e-02 PASS
spack_foss-2023a_mpi_debug -8.134090048160000e+03 -2.000000677071512e-06 -3.629765294140675e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.134090048390000e+03 -2.230000973213464e-06 -4.047188699116995e-02 PASS
spack_foss-2023a_mpi_omp -8.134090047000000e+03 -8.400002116104588e-07 -1.524501291489036e-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 -8.134090044090000e+03 2.069999027298763e-06 3.756804042284508e-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 -8.134090048580000e+03 -2.420000782876741e-06 -4.392015939885193e-02 PASS
spack_intel-2022a_impi_omp -8.134090048500000e+03 -2.340000719414093e-06 -4.246825262094542e-02 PASS