Match comparison for External energy (match type 26862)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.194568874000000e+02 4.100000000000000e-07 -8.194568873651850e+02 1.833241257424226e-08 -8.194568873950000e+02 3.500002776490874e-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: -819.4568874, precision: 0.00000041
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_ppc -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
cmake_foss_2022a_min_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
cmake_foss_2022a_min_mpi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
cmake_foss_2022a_full_mpi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_mpi_min -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_mpi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_serial_min -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi_min -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial_min -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi_opt -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi_debug -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial_opt -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023b_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial_debug -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2022a_serial_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2023a_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2023a_impi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.194568874300001e+02 -3.000002379849320e-08 -7.317078975242244e-02 PASS
spack_intel-2023a_serial_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2022a_impi_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_cuda_serial -8.194568874300001e+02 -3.000002379849320e-08 -7.317078975242244e-02 PASS