Match comparison for External energy (match type 29752)

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.092408370489999e+03 4.050000000000000e-07 -8.092408370599628e+03 1.652715511938610e-07 -8.092408370605000e+03 2.950000634882599e-07 FAIL

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: -8092.4083704899995, precision: 0.000000405
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -8.092408370810000e+03 -3.200002538505942e-07 -7.901240835817140e-01 PASS
cmake_foss_2022a_full_serial -8.092408370740000e+03 -2.500000846339390e-07 -6.172841595899727e-01 PASS
cmake_foss_2022a_min_serial -8.092408370740000e+03 -2.500000846339390e-07 -6.172841595899727e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
cmake_foss_2022a_min_mpi -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
cmake_foss_2022a_full_mpi -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_foss-2022a_serial_min -8.092408370310000e+03 1.799999154172838e-07 4.444442355982315e-01 PASS
spack_foss-2022a_serial -8.092408370310000e+03 1.799999154172838e-07 4.444442355982315e-01 PASS
spack_foss-2022a_mpi_min -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_foss-2022a_mpi -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_foss-2023a_mpi -8.092408370900000e+03 -4.100002115592360e-07 -1.012346201380830e+00 FAIL
spack_foss-2023a_mpi_min -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_foss-2023a_mpi_debug -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_foss-2023a_serial -8.092408370310000e+03 1.799999154172838e-07 4.444442355982315e-01 PASS
spack_foss-2023a_serial_min -8.092408370310000e+03 1.799999154172838e-07 4.444442355982315e-01 PASS
spack_foss-2022a_cuda_serial -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_foss-2023a_mpi_opt -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_foss-2023a_serial_debug -8.092408370310000e+03 1.799999154172838e-07 4.444442355982315e-01 PASS
spack_foss-2023a_serial_opt -8.092408370740000e+03 -2.500000846339390e-07 -6.172841595899727e-01 PASS
spack_foss-2023b_serial -8.092408370310000e+03 1.799999154172838e-07 4.444442355982315e-01 PASS
spack_foss-2023a_serial_omp -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_foss-2023a_mpi_omp -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_intel-2023a_serial -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_intel-2022a_serial_omp -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_intel-2023a_serial_omp -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_intel-2023a_impi -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS
spack_intel-2022a_impi_omp -8.092408370650000e+03 -1.600001269252971e-07 -3.950620417908570e-01 PASS