Match comparison for z (H) (t=200 au) (match type 17046)

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
7.390503166185000e-01 1.000000000000000e-04 7.390503166186310e-01 7.606844230325106e-14 7.390503166186650e-01 1.369460100875131e-13 PASS

Checks for this match

    Intel® builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 0.7390503166185, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS
cmake_foss_2022a_full_mpi 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS
spack_intel-2023a_serial 7.390503166185282e-01 2.819966482547898e-14 2.819966482547898e-10 PASS
spack_intel-2022a_serial_omp 7.390503166185282e-01 2.819966482547898e-14 2.819966482547898e-10 PASS
spack_intel-2023a_serial_omp 7.390503166185282e-01 2.819966482547898e-14 2.819966482547898e-10 PASS
spack_foss-2022a_serial 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS
spack_foss-2023a_serial 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS
spack_foss-2023a_serial_opt 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS
spack_foss-2023b_serial 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS
spack_foss-2022a_ppc 7.390503166188021e-01 3.020916850005051e-13 3.020916850005051e-09 PASS
spack_foss-2023a_serial_omp 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS