Match comparison for Total energy (match type 30100)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.471726160000000e+02 1.100000000000000e-05 -2.471726168803704e+02 2.801212016957615e-06 -2.471726160000000e+02 4.959999998277453e-06 PASS
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Detailed information

Reference: -247.172616, precision: 0.000011
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -2.471726205100000e+02 -4.509999996571423e-06 -4.099999996883112e-01 PASS
spack_foss-2022a_ppc -2.471726169400000e+02 -9.400000067216752e-07 -8.545454606560683e-02 PASS
cmake_foss_2022a_min_serial -2.471726205100000e+02 -4.509999996571423e-06 -4.099999996883112e-01 PASS
cmake_foss_2022a_min_mpi -2.471726180700000e+02 -2.069999993636884e-06 -1.881818176033531e-01 PASS
cmake_foss_2022a_full_mpi -2.471726180700000e+02 -2.069999993636884e-06 -1.881818176033531e-01 PASS
spack_foss-2022a_mpi_min -2.471726180700000e+02 -2.069999993636884e-06 -1.881818176033531e-01 PASS
spack_foss-2022a_mpi -2.471726180700000e+02 -2.069999993636884e-06 -1.881818176033531e-01 PASS
spack_foss-2022a_serial -2.471726205100000e+02 -4.509999996571423e-06 -4.099999996883112e-01 PASS
spack_foss-2022a_serial_min -2.471726205100000e+02 -4.509999996571423e-06 -4.099999996883112e-01 PASS
spack_foss-2023a_mpi -2.471726130800000e+02 2.920000014228208e-06 2.654545467480189e-01 PASS
spack_foss-2023a_mpi_min -2.471726130800000e+02 2.920000014228208e-06 2.654545467480189e-01 PASS
spack_foss-2023a_serial_min -2.471726180000000e+02 -1.999999994950485e-06 -1.818181813591351e-01 PASS
spack_foss-2023a_serial -2.471726180000000e+02 -1.999999994950485e-06 -1.818181813591351e-01 PASS
spack_foss-2023a_mpi_opt -2.471726130800000e+02 2.920000014228208e-06 2.654545467480189e-01 PASS
spack_foss-2023a_mpi_debug -2.471726130800000e+02 2.920000014228208e-06 2.654545467480189e-01 PASS
spack_foss-2023a_serial_opt -2.471726180000000e+02 -1.999999994950485e-06 -1.818181813591351e-01 PASS
spack_foss-2023b_serial -2.471726180000000e+02 -1.999999994950485e-06 -1.818181813591351e-01 PASS
spack_foss-2023a_serial_debug -2.471726180000000e+02 -1.999999994950485e-06 -1.818181813591351e-01 PASS
spack_foss-2023a_serial_omp -2.471726209600000e+02 -4.959999984066599e-06 -4.509090894605999e-01 PASS
spack_intel-2022a_serial_omp -2.471726188100000e+02 -2.809999983810485e-06 -2.554545439827713e-01 PASS
spack_foss-2023a_mpi_omp -2.471726125200000e+02 3.480000003719397e-06 3.163636367017634e-01 PASS
spack_intel-2023a_serial -2.471726110400000e+02 4.960000012488308e-06 4.509090920443917e-01 PASS
spack_intel-2023a_impi -2.471726165400000e+02 -5.400000020472362e-07 -4.909090927702147e-02 PASS
spack_foss-2022a_cuda_mpi_omp -2.471726176600000e+02 -1.659999981029614e-06 -1.509090891845104e-01 PASS
spack_intel-2023a_serial_omp -2.471726134000000e+02 2.600000016172999e-06 2.363636378339090e-01 PASS
spack_intel-2022a_impi_omp -2.471726157000000e+02 3.000000106112566e-07 2.727272823738696e-02 PASS
spack_foss-2022a_cuda_serial -2.471726155600000e+02 4.400000079840538e-07 4.000000072582308e-02 PASS