Match comparison for External energy (match type 12057)

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090041390742e+03 1.407911791919627e-05 -8.134090026580000e+03 2.227000004495494e-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
spack_foss-2022a_serial_min -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
foss-2022a_ppc -8.134090048600000e+03 -2.440000571368728e-06 -4.428313196676457e-02 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
foss-2022a_opt -8.134090042850000e+03 3.309999556222465e-06 6.007258722726797e-02 PASS
intel-2022b -8.134090044920000e+03 1.239999619429000e-06 2.250453029816697e-02 PASS
intel-2022a -8.134090044920000e+03 1.239999619429000e-06 2.250453029816697e-02 PASS
spack_foss-2022a_serial_omp -8.134090048560000e+03 -2.400000084890053e-06 -4.355717032468336e-02 PASS
cmake_foss_2022a_full_mpi -8.134090040320000e+03 5.839999175805133e-06 1.059890957496394e-01 PASS
spack_foss-2022a_serial_debug -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
foss-2022a_omp -8.134090048210000e+03 -2.050000148301478e-06 -3.720508436118836e-02 PASS
intel-2022a_omp -8.134090046920000e+03 -7.600001481478103e-07 -1.379310613698385e-02 PASS
intel-2022b_impi -8.134090047880000e+03 -1.720000909699593e-06 -3.121598747186194e-02 PASS
intel-2022a_impi -8.134090021820000e+03 2.433999907225370e-05 4.417422699138603e-01 PASS
eb_fosscuda-2022a_mpi_omp -8.134090046710000e+03 -5.500005499925464e-07 -9.981861161389228e-03 PASS
eb_fosscuda-2022a -8.134090048530000e+03 -2.370000402152073e-06 -4.301271147281439e-02 PASS
cmake_foss_2022a_min_serial -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
foss-2022a_mpi_omp -8.134090048530000e+03 -2.370000402152073e-06 -4.301271147281439e-02 PASS
cmake_foss_2022a_min_mpi -8.134090047990000e+03 -1.830000655900221e-06 -3.321235310163741e-02 PASS
eb_foss-2022a -8.134090045820000e+03 3.399991328478791e-07 6.170583173282743e-03 PASS
eb_foss-2022b_libxc6 -8.134090048850000e+03 -2.690000656002667e-06 -4.882033858444042e-02 PASS
eb_foss-2022a_debug -8.134090045820000e+03 3.399991328478791e-07 6.170583173282743e-03 PASS
intel-2022a_omp_impi -8.134090048030000e+03 -1.870000232884195e-06 -3.393829823746270e-02 PASS
eb_foss-2022a_mpi -8.134090047890000e+03 -1.730000803945586e-06 -3.139747375581826e-02 PASS
eb_foss-2022b_libxc6_mpi -8.134090048610000e+03 -2.450000465614721e-06 -4.446461825072089e-02 PASS
eb_foss-2022a_mpi_debug -8.134090048570000e+03 -2.410000888630748e-06 -4.373867311489561e-02 PASS