Match comparison for External energy (match type 12057)

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090036871112e+03 1.862809032725781e-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
spack_foss-2022a_ppc -8.134090046910000e+03 -7.500002539018169e-07 -1.361161985302753e-02 PASS
spack_foss-2023a_mpi -8.134090046240000e+03 -8.000097295735031e-08 -1.451923284162438e-03 PASS
cmake_foss_2022a_full_mpi -8.134090012880000e+03 3.327999911562074e-05 6.039927244214290e-01 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
spack_foss-2023a_mpi_debug -8.134090048330000e+03 -2.170000698242802e-06 -3.938295278117609e-02 PASS
cmake_foss_2022a_min_mpi -8.134090047870000e+03 -1.710000105958898e-06 -3.103448468164969e-02 PASS
spack_foss-2022a_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_serial_min -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_mpi -8.134090048410000e+03 -2.250000761705451e-06 -4.083485955908259e-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-2023a_mpi_opt -8.134090048320000e+03 -2.160000803996809e-06 -3.920146649721976e-02 PASS
spack_foss-2023a_serial -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_debug -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_cuda_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-2022a_cuda_serial -8.134090048180000e+03 -2.020000465563498e-06 -3.666062550931939e-02 PASS
spack_foss-2023a_mpi_omp -8.134090048420000e+03 -2.260000655951444e-06 -4.101634584303891e-02 PASS
spack_foss-2023b_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 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 -8.134090048520000e+03 -2.360000507906079e-06 -4.283122518885807e-02 PASS
spack_intel-2022a_impi_omp -8.134090048440000e+03 -2.280000444443431e-06 -4.137931841095156e-02 PASS