Match comparison for Exchange energy (match type 30629)

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Input 22-vdw_d3_stress.01-Be_hpc.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.930709140000000e+00 1.970000000000000e-07 -3.930709113030304e+00 1.193031499408031e-08 -3.930709135000000e+00 2.500000007010783e-08 PASS

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Detailed information

Reference: -3.93070914, precision: 0.000000197
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-serial-min: [foss2022a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-serial-min: [foss2023a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-serial-min: [foss2023b-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-opt-full: [foss2023a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
intel-serial: [intel2023a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-serial-full: [foss2023b-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-serial-full: [foss2023a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-ppc: [foss2022a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-serial-debug: [foss2023a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-omp-full: [foss2023a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.930709160000000e+00 -2.000000032253979e-08 -1.015228442768517e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.930709160000000e+00 -2.000000032253979e-08 -1.015228442768517e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS
valgrind: [foss2023a-serial] -3.930709110000000e+00 2.999999981767587e-08 1.522842630338877e-01 PASS