Match comparison for Total energy (match type 29582)

Commits > Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d > Input 07-mgga.05-br89_primitive.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.156028264000000e+01 5.780000000000000e-08 -1.156028263269231e+01 4.435601364954260e-09 -1.156028263500000e+01 5.000000413701855e-09 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -11.56028264, precision: 0.0000000578
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2022a_serial -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_serial -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2022a_ppc -1.156028264000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -1.156028264000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_mpi_min -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
cmake_foss_2022a_full_mpi -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_mpi_opt -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_serial_debug -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
cmake_foss_2022a_full_serial -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2022a_mpi -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_mpi -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
cmake_foss_2022a_min_mpi -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
cmake_foss_2022a_min_serial -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_mpi_debug -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_mpi_omp -1.156028264000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_serial_opt -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023b_serial -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_foss-2023a_serial_omp -1.156028264000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_intel-2022a_serial_omp -1.156028264000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp -1.156028264000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -1.156028263000000e+01 1.000000082740371e-08 1.730103949377804e-01 PASS
spack_intel-2022a_impi_omp -1.156028264000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS