Match comparison for Exchange energy (match type 28155)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 11-silicon_force.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.817965120000000e+00 4.410000000000000e-07 -8.817965086101694e+00 2.262569038539196e-08 -8.817965125000001e+00 4.500000017060302e-08 PASS

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Detailed information

Reference: -8.81796512, precision: 0.000000441
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
cmake_foss_2022a_full_serial -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_autotools: [foss2022a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_serial_min -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2022a_serial_min -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2022a_ppc -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2022a_serial -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_serial -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
cmake_foss_2022a_min_mpi -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2022a_mpi_min -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_mpi_min -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
cmake_foss_2022a_full_mpi -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
cmake_foss_2022a_min_serial -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_mpi_opt -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_serial_debug -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2022a_mpi -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_mpi -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_mpi_debug -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_mpi_omp -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.817965170000001e+00 -5.000000058430487e-08 -1.133786861322106e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_serial_opt -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_serial_omp -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023b_serial -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_intel-2023a_serial -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_intel-2022a_serial_omp -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_intel-2023a_serial_omp -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -8.817965170000001e+00 -5.000000058430487e-08 -1.133786861322106e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_intel-2023a_impi -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_intel-2022a_impi_omp -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2022a_cuda_serial -8.817965170000001e+00 -5.000000058430487e-08 -1.133786861322106e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
spack_foss-2023a_valgrind -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.817965170000001e+00 -5.000000058430487e-08 -1.133786861322106e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] -8.817965080000000e+00 3.999999975690116e-08 9.070294729456045e-02 PASS