Match comparison for Hartree energy (match type 12854)

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.266251516000000e+01 1.930000000000000e-07 2.266251512750000e+01 1.709349294021851e-07 2.266251516500000e+01 1.750000002687102e-07 PASS

Checks for this match

  • MPI builders have different values.
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Detailed information

Reference: 22.662515159999998, precision: 0.000000193
Run Value Difference Relative difference Status
foss-2022a_ppc 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
spack_foss-2022a_serial_opt 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
spack_foss-2022a_serial_min 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
spack_foss-2022a_serial 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
foss-2022a_opt 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
intel-2022b 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
intel-2022a 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
spack_foss-2022a_serial_omp 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
spack_foss-2022a_serial_debug 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
foss-2022a_omp 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
spack_foss-2022a_mpi 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
intel-2022a_omp 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
intel-2022a_impi 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
cmake_foss_2022a_full_mpi 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
spack_foss-2022a_mpi_omp 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
eb_fosscuda-2022a 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
cmake_foss_2022a_full_serial 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
cmake_foss_2022a_min_serial 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
foss-2022a_mpi_omp 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
cmake_foss_2022a_min_mpi 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
eb_foss-2022a 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
eb_foss-2022b_libxc6 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
intel-2022a_omp_impi 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
eb_foss-2022a_debug 2.266251499000000e+01 -1.699999998550084e-07 -8.808290147927894e-01 PASS
eb_foss-2022a_mpi 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
eb_foss-2022b_libxc6_mpi 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
eb_foss-2022a_mpi_debug 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS
intel-2022b_impi 2.266251534000000e+01 1.800000006824121e-07 9.326424905824460e-01 PASS