Match comparison for External energy (match type 26825)

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.194568960900001e+02 4.100000000000000e-07 -8.194568960900000e+02 0.000000000000000e+00 -8.194568960900000e+02 0.000000000000000e+00 PASS
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Detailed information

Reference: -819.4568960900001, precision: 0.00000041
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-serial-min: [foss2023a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-serial-min: [foss2022a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-serial-full: [foss2023b-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-serial-min: [foss2023b-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-opt-full: [foss2023a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-ppc: [foss2022a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-serial-full: [foss2023a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-serial-debug: [foss2023a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel_omp_autotools: [intel2023a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel_omp_autotools: [intel2022a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-omp-full: [foss2023a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-mpi-full: [foss2023a-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel-serial: [intel2023a-serial] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss_cmake: [foss2022a-serial, foss-min] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-mpi-opt-full: [foss2023a-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-mpi-debug: [foss2023a-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-mpi-min: [foss2022a-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-mpi-min: [foss2023a-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-mpi-omp-full: [foss2023a-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
cuda-serial: [foss2022a-cuda-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -8.194568960900000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS