Match comparison for External energy (match type 28513)

Commits > Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.107134514200000e+02 1.160000000000000e-05 -2.107134524270588e+02 4.304060689225945e-06 -2.107134508950000e+02 6.284999997774321e-06 PASS
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Detailed information

Reference: -210.71345142, precision: 0.0000116
Run Value Difference Relative difference Status
foss-2022a_ppc -2.107134465900000e+02 4.830000023048342e-06 4.163793123317536e-01 PASS
spack_foss-2022a_serial -2.107134559100000e+02 -4.489999980705761e-06 -3.870689638539449e-01 PASS
foss-2022a_opt -2.107134571800000e+02 -5.759999993415477e-06 -4.965517235702997e-01 PASS
spack_foss-2022a_serial_min -2.107134559100000e+02 -4.489999980705761e-06 -3.870689638539449e-01 PASS
eb_foss-2022a -2.107134571800000e+02 -5.759999993415477e-06 -4.965517235702997e-01 PASS
foss-2022a_omp -2.107134469300000e+02 4.490000009127471e-06 3.870689663040923e-01 PASS
spack_foss-2022a_serial_debug -2.107134559100000e+02 -4.489999980705761e-06 -3.870689638539449e-01 PASS
eb_foss-2022b_libxc6 -2.107134520000000e+02 -5.799999769351416e-07 -4.999999801165014e-02 PASS
eb_fosscuda-2022a -2.107134509600000e+02 4.600000238497159e-07 3.965517446980309e-02 PASS
spack_foss-2022a_serial_omp -2.107134556600000e+02 -4.239999981336950e-06 -3.655172397704267e-01 PASS
eb_foss-2022a_debug -2.107134571800000e+02 -5.759999993415477e-06 -4.965517235702997e-01 PASS
spack_foss-2022a_serial_opt -2.107134559100000e+02 -4.489999980705761e-06 -3.870689638539449e-01 PASS
eb_foss-2022a_mpi -2.107134473800000e+02 4.040000021632295e-06 3.482758639338185e-01 PASS
eb_foss-2022b_libxc6_mpi -2.107134446100000e+02 6.810000002133165e-06 5.870689657011349e-01 PASS
eb_fosscuda-2022a_mpi_omp -2.107134544600000e+02 -3.039999995735343e-06 -2.620689651495985e-01 PASS
eb_foss-2022a_mpi_debug -2.107134473800000e+02 4.040000021632295e-06 3.482758639338185e-01 PASS
foss-2022a_mpi_omp -2.107134501100000e+02 1.310000016019330e-06 1.129310358637354e-01 PASS