Match comparison for Total energy (match type 11912)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 38-carbon_atom_cgal_box.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.467349182000000e+02 7.340000000000000e-07 -1.467349183600000e+02 2.842170943040401e-14 -1.467349183600000e+02 0.000000000000000e+00 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: -146.7349182, precision: 0.000000734
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_serial_opt -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
cmake_foss_2022a_full_mpi -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2022a_mpi -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2022a_serial -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2022a_serial_min -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_serial -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_mpi -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_serial_min -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_mpi_opt -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_serial_debug -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023b_serial -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_serial_omp -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_mpi_debug -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_intel-2022a_serial_omp -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2023a_mpi_omp -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_intel-2023a_serial -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_intel-2023a_impi -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_intel-2023a_serial_omp -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_intel-2022a_impi_omp -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
spack_foss-2022a_cuda_serial -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.467349183600000e+02 -1.599999848167499e-07 -2.179836305405312e-01 PASS