Match comparison for Hartree energy (match type 27132)

Commits > Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 > Input 02-ACBN0.01-nio.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.788829173000001e+01 1.410000000000000e-05 8.788829152307693e+01 7.328593586132108e-07 8.788829183999999e+01 1.810000000546097e-06 PASS
Checks do not indicate problems with this match.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 87.88829173, precision: 0.0000141
Run Value Difference Relative difference Status
foss-2022a_ppc 8.788829122000000e+01 -5.100000066704524e-07 -3.617021323903918e-02 PASS
cmake_foss_2022a_full_serial 8.788829027000000e+01 -1.460000007114104e-06 -1.035460997953265e-01 PASS
cmake_foss_2022a_min_serial 8.788829179000000e+01 5.999999075356754e-08 4.255318493160819e-03 PASS
cmake_foss_2022a_min_mpi 8.788829133000000e+01 -4.000000046744390e-07 -2.836879465776163e-02 PASS
cmake_foss_2022a_full_mpi 8.788829351000000e+01 1.779999990958459e-06 1.262411341105290e-01 PASS
eb_fosscuda-2022a 8.788829133000000e+01 -4.000000046744390e-07 -2.836879465776163e-02 PASS
eb_foss-2022a 8.788829133999999e+01 -3.900000109524626e-07 -2.765957524485550e-02 PASS
eb_foss-2022a_debug 8.788829133999999e+01 -3.900000109524626e-07 -2.765957524485550e-02 PASS
eb_foss-2022b_libxc6 8.788829142000000e+01 -3.100000043332329e-07 -2.198581591015836e-02 PASS
eb_foss-2022a_mpi 8.788829171000000e+01 -2.000000165480742e-08 -1.418439833674285e-03 PASS
foss-2022a_opt 8.788829133999999e+01 -3.900000109524626e-07 -2.765957524485550e-02 PASS
intel-2022a 8.788829105000001e+01 -6.799999994200334e-07 -4.822695031347755e-02 PASS
eb_foss-2022b_libxc6_mpi 8.788829142000000e+01 -3.100000043332329e-07 -2.198581591015836e-02 PASS
foss-2022a_omp 8.788829142000000e+01 -3.100000043332329e-07 -2.198581591015836e-02 PASS
intel-2022b 8.788829105000001e+01 -6.799999994200334e-07 -4.822695031347755e-02 PASS
spack_foss-2022a_serial 8.788829179000000e+01 5.999999075356754e-08 4.255318493160819e-03 PASS
eb_fosscuda-2022a_mpi_omp 8.788829364999999e+01 1.919999988331256e-06 1.361702119383869e-01 PASS
intel-2022a_omp 8.788829104000000e+01 -6.900000073528645e-07 -4.893617073424571e-02 PASS
intel-2022a_impi 8.788829144000000e+01 -2.900000026784255e-07 -2.056737607648408e-02 PASS
spack_foss-2022a_serial_min 8.788829179000000e+01 5.999999075356754e-08 4.255318493160819e-03 PASS
spack_foss-2022a_serial_debug 8.788829179000000e+01 5.999999075356754e-08 4.255318493160819e-03 PASS
intel-2022b_impi 8.788829144000000e+01 -2.900000026784255e-07 -2.056737607648408e-02 PASS
foss-2022a_mpi_omp 8.788829002999999e+01 -1.700000012760938e-06 -1.205673767915559e-01 PASS
spack_foss-2022a_serial_omp 8.788829207000001e+01 3.399999997100167e-07 2.411347515673877e-02 PASS
intel-2022a_omp_impi 8.788829131000000e+01 -4.200000063292464e-07 -2.978723449143591e-02 PASS
eb_foss-2022a_mpi_debug 8.788829171000000e+01 -2.000000165480742e-08 -1.418439833674285e-03 PASS