Match comparison for Exchange energy (match type 30283)

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Input 22-vdw_d3_stress.01-Be_hpc.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.895539280000000e+00 1.950000000000000e-07 -3.895539220535714e+00 7.187339172504590e-08 -3.895539285000000e+00 1.050000000279994e-07 PASS
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Detailed information

Reference: -3.89553928, precision: 0.000000195
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_serial_opt -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2022a_serial -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2022a_serial_min -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2022a_ppc -3.895539350000000e+00 -7.000000001866624e-08 -3.589743590700833e-01 PASS
spack_foss-2023a_serial -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023b_serial -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2022a_mpi_min -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_mpi_min -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_serial_omp -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_mpi_opt -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2022a_mpi -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_mpi -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_serial_debug -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_mpi_debug -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -3.895539280000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -3.895539390000000e+00 -1.100000002196566e-07 -5.641025652290083e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -3.895539390000000e+00 -1.100000002196566e-07 -5.641025652290083e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -3.895539350000000e+00 -7.000000001866624e-08 -3.589743590700833e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_mpi_omp -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
cmake_foss_2022a_full_serial -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
cmake_foss_2022a_min_serial -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
cmake_foss_2022a_min_mpi -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
cmake_foss_2022a_full_mpi -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_intel-2022a_impi_omp -3.895539390000000e+00 -1.100000002196566e-07 -5.641025652290083e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.895539240000000e+00 3.999999975690116e-08 2.051282038815444e-01 PASS
spack_intel-2023a_serial -3.895539280000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp -3.895539390000000e+00 -1.100000002196566e-07 -5.641025652290083e-01 PASS
spack_intel-2023a_serial_omp -3.895539390000000e+00 -1.100000002196566e-07 -5.641025652290083e-01 PASS
spack_intel-2023a_impi -3.895539280000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.895539240000000e+00 3.999999975690116e-08 2.051282038815444e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2023a_valgrind -3.895539270000000e+00 9.999999939225290e-09 5.128205097038610e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS
spack_foss-2022a_cuda_serial -3.895539240000000e+00 3.999999975690116e-08 2.051282038815444e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -3.895539280000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -3.895539390000000e+00 -1.100000002196566e-07 -5.641025652290083e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.895539180000000e+00 9.999999983634211e-08 5.128205119812416e-01 PASS