Match comparison for gga_xc_pbe1w Eigenvalue dn (match type 12419)

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Input 03-xc.gga_xc_pbe1w.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.640200000000000e-01 4.180000000000000e-05 -5.853230312500000e-01 1.551916975734114e+00 3.595663500000000e+00 4.459721500000000e+00 FAIL

Checks for this match

  • GPU builders have different values.
  • Precision seems too large.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.86402, precision: 0.0000418
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-serial-min: [foss2023a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-serial-min: [foss2022a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-opt-full: [foss2023a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-serial-min: [foss2023b-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-serial-full: [foss2023b-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
intel_autotools: [intel2023a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-serial-full: [foss2023a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-ppc: [foss2022a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-serial-debug: [foss2023a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
intel_omp_autotools: [intel2022a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-omp-full: [foss2023a-serial] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-mpi-full: [foss2023a-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-mpi-min: [foss2022a-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-mpi-min: [foss2023a-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 8.055384999999999e+00 8.919404999999999e+00 2.133828947368421e+05 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.639820000000000e-01 3.799999999998249e-05 9.090909090904903e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.640580000000000e-01 -3.799999999998249e-05 -9.090909090904903e-01 PASS