Match comparison for Exchange energy (match type 26859)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.459613555999999e+01 3.730000000000000e-07 -7.459613553421050e+01 1.532654840346591e-08 -7.459613555999999e+01 3.000000248221113e-08 PASS

Checks for this match

  • GPU builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -74.59613556, precision: 0.000000373
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
cmake_foss_2022a_full_serial -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_autotools: [foss2022a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_serial_min -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2022a_serial_min -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2022a_ppc -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2022a_serial -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_serial -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
cmake_foss_2022a_min_mpi -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2022a_mpi_min -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_mpi_min -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
cmake_foss_2022a_full_mpi -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_mpi_opt -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
cmake_foss_2022a_min_serial -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_serial_debug -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2022a_mpi -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_mpi -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_mpi_debug -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_mpi_omp -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2022a_cuda_mpi_omp -7.459613559000000e+01 -3.000000958763849e-08 -8.042898012771713e-02 PASS
GCI_intel_autotools: [intel2023a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_serial_opt -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023a_serial_omp -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2023b_serial -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_intel-2023a_serial -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_intel-2022a_serial_omp -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_intel-2023a_serial_omp -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -7.459613559000000e+01 -3.000000958763849e-08 -8.042898012771713e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_intel-2023a_impi -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_intel-2022a_impi_omp -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
spack_foss-2022a_cuda_serial -7.459613559000000e+01 -3.000000958763849e-08 -8.042898012771713e-02 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -7.459613553000000e+01 2.999999537678377e-08 8.042894202891092e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -7.459613559000000e+01 -3.000000958763849e-08 -8.042898012771713e-02 PASS