Match comparison for External energy (match type 12057)

Commits > Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090042090384e+03 1.384192721013118e-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
foss-2022a_ppc -8.134090048600000e+03 -2.440000571368728e-06 -4.428313196676457e-02 PASS
spack_foss-2022a_serial_min -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 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
cmake_foss_2022a_min_mpi -8.134090048200000e+03 -2.040000254055485e-06 -3.702359807723204e-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 -8.134090048330000e+03 -2.170000698242802e-06 -3.938295278117609e-02 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
eb_fosscuda-2022a -8.134090048530000e+03 -2.370000402152073e-06 -4.301271147281439e-02 PASS
intel-2022a_omp -8.134090046920000e+03 -7.600001481478103e-07 -1.379310613698385e-02 PASS
intel-2022b_impi -8.134090048530000e+03 -2.370000402152073e-06 -4.301271147281439e-02 PASS
intel-2022a_impi -8.134090048520000e+03 -2.360000507906079e-06 -4.283122518885807e-02 PASS
cmake_foss_2022a_min_serial -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
foss-2022a_mpi_omp -8.134090048350000e+03 -2.190000486734789e-06 -3.974592534908873e-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
eb_foss-2022a_mpi -8.134090048610000e+03 -2.450000465614721e-06 -4.446461825072089e-02 PASS
intel-2022a_omp_impi -8.134090038050000e+03 8.109999726002570e-06 1.471869278766347e-01 PASS
eb_foss-2022b_libxc6_mpi -8.134090048550000e+03 -2.390000190644059e-06 -4.337568404072703e-02 PASS
eb_foss-2022a_mpi_debug -8.134090048260000e+03 -2.100000529026147e-06 -3.811253228722590e-02 PASS
eb_fosscuda-2022a_mpi_omp -8.134090045840000e+03 3.199993443558924e-07 5.807610605370098e-03 PASS