Match comparison for External energy (match type 12057)

Commits > Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090038368750e+03 1.764583811236426e-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
cmake_foss_2022a_full_serial -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
cmake_foss_2022a_full_mpi -8.134090048150000e+03 -1.990000782825518e-06 -3.611616665745043e-02 PASS
cmake_foss_2022a_min_serial -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
cmake_foss_2022a_min_mpi -8.134090048250000e+03 -2.090000634780154e-06 -3.793104600326958e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.134090048540000e+03 -2.380000296398066e-06 -4.319419775677071e-02 PASS
spack_foss-2022a_mpi -8.134090047710000e+03 -1.550000888528302e-06 -2.813068763209260e-02 PASS
spack_foss-2022a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-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-2023a_mpi -8.134090048310000e+03 -2.150000909750815e-06 -3.901998021326344e-02 PASS
spack_foss-2023a_mpi_min -8.134090048460000e+03 -2.300000232935417e-06 -4.174229097886420e-02 PASS
spack_foss-2022a_cuda_serial -8.134090048180000e+03 -2.020000465563498e-06 -3.666062550931939e-02 PASS
spack_foss-2023a_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2023a_mpi_opt -8.134090036470000e+03 9.689999387774151e-06 1.758620578543403e-01 PASS
spack_foss-2023a_serial_min -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2023a_mpi_omp -8.134090048410000e+03 -2.250000761705451e-06 -4.083485955908259e-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_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_impi -8.134090048160000e+03 -2.000000677071512e-06 -3.629765294140675e-02 PASS
spack_intel-2023a_serial_omp -8.134090046560000e+03 -4.000003173132427e-07 -7.259533889532536e-03 PASS
spack_intel-2022a_impi_omp -8.134090048600000e+03 -2.440000571368728e-06 -4.428313196676457e-02 PASS