Match comparison for Hartree energy (match type 25788)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 18-TiO2.02-gs_kerker.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.172762507000000e+01 2.090000000000000e-07 4.172762507058824e+01 1.211250502058969e-08 4.172762507500000e+01 2.499999851579560e-08 PASS
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Detailed information

Reference: 41.72762507, precision: 0.000000209
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-min-parallel: [intel2022a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
ppc: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] 4.172762506000000e+01 -1.000000082740371e-08 -4.784689391102254e-02 PASS
foss-parallel-debug: [foss2023a-mpi] 4.172762506000000e+01 -1.000000082740371e-08 -4.784689391102254e-02 PASS
intel-parallel: [intel2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel: [foss2023a-mpi] 4.172762506000000e+01 -1.000000082740371e-08 -4.784689391102254e-02 PASS
foss-min-parallel: [foss2023b-mpi] 4.172762510000000e+01 2.999999537678377e-08 1.435406477358075e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-min-parallel: [foss2022a-mpi] 4.172762510000000e+01 2.999999537678377e-08 1.435406477358075e-01 PASS
intel-serial-debug: [intel2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel-debug: [intel2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS