Match comparison for Total energy (match type 26095)

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184209376000000e+02 1.400000000000000e-04 -3.184210002714815e+02 9.681571963386319e-05 -3.184209397400000e+02 1.205199999958495e-04 PASS
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Detailed information

Reference: -318.4209376, precision: 0.00014
Run Value Difference Relative difference Status
spack_foss-2023a_mpi_debug -3.184210516300000e+02 -1.140300000201933e-04 -8.145000001442376e-01 PASS
spack_foss-2023a_mpi_omp -3.184210512000000e+02 -1.136000000201420e-04 -8.114285715724432e-01 PASS
cmake_foss_2022a_min_serial -3.184210505400000e+02 -1.129400000081660e-04 -8.067142857726141e-01 PASS
cmake_foss_2022a_full_serial -3.184210505400000e+02 -1.129400000081660e-04 -8.067142857726141e-01 PASS
cmake_foss_2022a_min_mpi -3.184210511200000e+02 -1.135200000135228e-04 -8.108571429537343e-01 PASS
cmake_foss_2022a_full_mpi -3.184210583800000e+02 -1.207799999747294e-04 -8.627142855337817e-01 PASS
spack_intel-2023a_serial -3.184210467300000e+02 -1.091299999984585e-04 -7.794999999889894e-01 PASS
spack_intel-2022a_impi_omp -3.184210508200000e+02 -1.132200000029115e-04 -8.087142857350825e-01 PASS
spack_intel-2022a_serial_omp -3.184210515000000e+02 -1.138999999739099e-04 -8.135714283850706e-01 PASS
spack_intel-2023a_serial_omp -3.184210591800000e+02 -1.215799999840783e-04 -8.684285713148452e-01 PASS
spack_intel-2023a_impi -3.184210516100000e+02 -1.140100000043276e-04 -8.143571428880543e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.184210505000000e+02 -1.128999999764346e-04 -8.064285712602474e-01 PASS
spack_foss-2022a_serial_min -3.184208192200000e+02 1.183800000035262e-04 8.455714285966159e-01 PASS
spack_foss-2023a_serial_min -3.184208192200000e+02 1.183800000035262e-04 8.455714285966159e-01 PASS
spack_foss-2022a_serial -3.184208192200000e+02 1.183800000035262e-04 8.455714285966159e-01 PASS
spack_foss-2023a_serial -3.184208192200000e+02 1.183800000035262e-04 8.455714285966159e-01 PASS
spack_foss-2023a_serial_opt -3.184210505400000e+02 -1.129400000081660e-04 -8.067142857726141e-01 PASS
spack_foss-2023b_serial -3.184208192200000e+02 1.183800000035262e-04 8.455714285966159e-01 PASS
spack_foss-2022a_ppc -3.184210602600000e+02 -1.226599999881728e-04 -8.761428570583771e-01 PASS
spack_foss-2022a_cuda_serial -3.184210504600000e+02 -1.128600000015467e-04 -8.061428571539052e-01 PASS
spack_foss-2023a_mpi_min -3.184210512700000e+02 -1.136700000188284e-04 -8.119285715630603e-01 PASS
spack_foss-2022a_mpi_min -3.184210512700000e+02 -1.136700000188284e-04 -8.119285715630603e-01 PASS
spack_foss-2023a_serial_omp -3.184210510300000e+02 -1.134299999989707e-04 -8.102142857069340e-01 PASS
spack_foss-2023a_serial_debug -3.184208192200000e+02 1.183800000035262e-04 8.455714285966159e-01 PASS
spack_foss-2023a_mpi_opt -3.184210507800000e+02 -1.131799999711802e-04 -8.084285712227159e-01 PASS
spack_foss-2022a_mpi -3.184210515800000e+02 -1.139799999805291e-04 -8.141428570037793e-01 PASS
spack_foss-2023a_mpi -3.184210510700000e+02 -1.134699999738586e-04 -8.104999998132761e-01 PASS