Match comparison for External energy (match type 12057)

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134090046159999e+03 5.510000000000000e-05 -8.134090042385417e+03 1.443194542336939e-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
eb_foss-2022a_ppc -8.134090048600000e+03 -2.440000571368728e-06 -4.428313196676457e-02 PASS
cmake_foss_2022a_full_serial -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
cmake_foss_2022a_min_serial -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
cmake_foss_2022a_full_mpi -8.134090048440000e+03 -2.280000444443431e-06 -4.137931841095156e-02 PASS
eb_fosscuda-2022a -8.134090048530000e+03 -2.370000402152073e-06 -4.301271147281439e-02 PASS
cmake_foss_2022a_min_mpi -8.134090048470000e+03 -2.310000127181411e-06 -4.192377726282052e-02 PASS
eb_foss-2022a_debug -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_intel-2022a -8.134090044920000e+03 1.239999619429000e-06 2.250453029816697e-02 PASS
eb_foss-2022b_libxc6_mpi -8.134090047960000e+03 -1.800000973162241e-06 -3.266789424976844e-02 PASS
intel-2022b -8.134090044920000e+03 1.239999619429000e-06 2.250453029816697e-02 PASS
eb_intel-2022a_omp -8.134090046920000e+03 -7.600001481478103e-07 -1.379310613698385e-02 PASS
eb_foss-2022a_mpi_debug -8.134090048560000e+03 -2.400000084890053e-06 -4.355717032468336e-02 PASS
eb_intel-2022a_impi -8.134090048560000e+03 -2.400000084890053e-06 -4.355717032468336e-02 PASS
spack_foss-2022a_serial -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_mpi -8.134090048220000e+03 -2.060000952042174e-06 -3.738658715140061e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.134090048400000e+03 -2.240000867459457e-06 -4.065337327512627e-02 PASS
spack_foss-2022a_serial_min -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
intel-2022b_impi -8.134090047310000e+03 -1.150000571215060e-06 -2.087115374256007e-02 PASS
spack_foss-2022a_serial_debug -8.134090004310000e+03 4.184999943390721e-05 7.595281203975901e-01 PASS
spack_foss-2022a_serial_omp -8.134090048560000e+03 -2.400000084890053e-06 -4.355717032468336e-02 PASS
spack_foss-2022a_serial_opt -8.134090048090000e+03 -1.930000507854857e-06 -3.502723244745656e-02 PASS
spack_foss-2022a_mpi_omp -8.134090048630000e+03 -2.470000254106708e-06 -4.482759081863354e-02 PASS
eb_intel-2022a_omp_impi -8.134090048380000e+03 -2.220000169472769e-06 -4.029038420095769e-02 PASS