Match comparison for Polarizability ZZ w=0.1 (match type 17686)

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.978999400000000e+01 1.490000000000000e-05 2.978998600000000e+01 0.000000000000000e+00 2.978998600000000e+01 0.000000000000000e+00 PASS

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Detailed information

Reference: 29.789994, precision: 0.0000149
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2022a_serial_min 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_serial_min 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_serial 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2022a_serial 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2022a_ppc 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
cmake_foss_2022a_min_serial 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
cmake_foss_2022a_min_mpi 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_mpi_min 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2022a_mpi_min 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
cmake_foss_2022a_full_mpi 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_serial_debug 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_mpi_opt 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2022a_mpi 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_mpi 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2022a_cuda_serial 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2022a_cuda_mpi_omp 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_mpi_debug 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_mpi_omp 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_serial_opt 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023b_serial 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_serial_omp 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_intel-2023a_serial 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_intel-2022a_serial_omp 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_intel-2023a_serial_omp 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_intel-2023a_impi 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_intel-2022a_impi_omp 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS
spack_foss-2023a_valgrind 2.978998600000000e+01 -8.000000001118224e-06 -5.369127517529010e-01 PASS