Match comparison for Total energy (match type 12851)

Commits > Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.333925462000000e+01 6.670000000000000e-08 -1.333925460333333e+01 4.714045262999110e-08 -1.333925462000000e+01 5.000000058430487e-08 PASS

Checks for this match

  • MPI builders have different values.
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Detailed information

Reference: -13.339254619999998, precision: 0.0000000667
Run Value Difference Relative difference Status
foss-2022a_ppc -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
eb_fosscuda-2022a -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
cmake_foss_2022a_full_serial -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
cmake_foss_2022a_full_mpi -1.333925467000000e+01 -5.000000236066171e-08 -7.496252227985265e-01 PASS
cmake_foss_2022a_min_serial -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
cmake_foss_2022a_min_mpi -1.333925467000000e+01 -5.000000236066171e-08 -7.496252227985265e-01 PASS
eb_foss-2022a -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
eb_foss-2022a_debug -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
eb_foss-2022b_libxc6 -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
foss-2022a_opt -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
eb_foss-2022a_mpi -1.333925467000000e+01 -5.000000236066171e-08 -7.496252227985265e-01 PASS
foss-2022a_omp -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
eb_foss-2022b_libxc6_mpi -1.333925467000000e+01 -5.000000236066171e-08 -7.496252227985265e-01 PASS
intel-2022a -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
foss-2022a_mpi_omp -1.333925467000000e+01 -5.000000236066171e-08 -7.496252227985265e-01 PASS
eb_foss-2022a_mpi_debug -1.333925467000000e+01 -5.000000236066171e-08 -7.496252227985265e-01 PASS
intel-2022b -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
intel-2022a_omp -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
spack_foss-2022a_serial -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
intel-2022a_impi -1.333925467000000e+01 -5.000000236066171e-08 -7.496252227985265e-01 PASS
spack_foss-2022a_serial_min -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
spack_foss-2022a_serial_omp -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
spack_foss-2022a_serial_debug -1.333925457000000e+01 4.999999880794803e-08 7.496251695344534e-01 PASS
intel-2022a_omp_impi -1.333925467000000e+01 -5.000000236066171e-08 -7.496252227985265e-01 PASS