Match comparison for Hartree energy (match type 30235)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
3.988936987400000e+03 | 1.800000000000000e-05 | 3.988936995182407e+03 | 1.112207113019542e-05 | 3.988936987785000e+03 | 1.594500008650357e-05 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 3988.9369874000004, precision: 0.000018Run | Value | Difference | Relative difference | Status |
spack_foss-2023a_serial_min | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
spack_foss-2023a_serial_opt | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
spack_foss-2022a_serial | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
spack_foss-2022a_serial_min | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
spack_foss-2022a_ppc | 3.988937003600000e+03 | 1.619999966351315e-05 | 8.999999813062863e-01 | PASS |
spack_foss-2023a_serial | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
spack_foss-2023b_serial | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
spack_foss-2022a_mpi_min | 3.988936992630000e+03 | 5.229999715083977e-06 | 2.905555397268876e-01 | PASS |
spack_foss-2023a_mpi_min | 3.988936992630000e+03 | 5.229999715083977e-06 | 2.905555397268876e-01 | PASS |
spack_foss-2023a_serial_omp | 3.988936971850000e+03 | -1.555000017106067e-05 | -8.638888983922597e-01 | PASS |
spack_foss-2023a_mpi_opt | 3.988937003540000e+03 | 1.613999984328984e-05 | 8.966666579605468e-01 | PASS |
spack_foss-2022a_mpi | 3.988937003220000e+03 | 1.581999958943925e-05 | 8.788888660799582e-01 | PASS |
spack_foss-2023a_mpi | 3.988936978860000e+03 | -8.540000180801144e-06 | -4.744444544889524e-01 | PASS |
spack_foss-2023a_serial_debug | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
GCI_foss-cmake: [foss2022a-serial, foss-min] | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
GCI_foss_opt_autotools: [foss2023a-serial] | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
GCI_foss-cmake: [foss2022a-serial, foss-full] | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
spack_foss-2023a_mpi_debug | 3.988936971840000e+03 | -1.556000052005402e-05 | -8.644444733363343e-01 | PASS |
GCI_intel_autotools: [intel2023a-serial] | 3.988937002310000e+03 | 1.490999966335949e-05 | 8.283333146310825e-01 | PASS |
GCI_intel_omp_autotools: [intel2023a-serial] | 3.988936996510000e+03 | 9.109999609790975e-06 | 5.061110894328319e-01 | PASS |
GCI_intel_omp_autotools: [intel2022a-serial] | 3.988937003560000e+03 | 1.615999963178183e-05 | 8.977777573212127e-01 | PASS |
GCI_foss_omp_autotools: [foss2023a-serial] | 3.988936971850000e+03 | -1.555000017106067e-05 | -8.638888983922597e-01 | PASS |
GCI_foss_ppc_autotools: [foss2022a-serial] | 3.988937003600000e+03 | 1.619999966351315e-05 | 8.999999813062863e-01 | PASS |
GCI_foss_min_autotools: [foss2022a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
GCI_foss_min_autotools: [foss2023a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
GCI_foss_min_autotools: [foss2023b-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
GCI_foss_autotools: [foss2022a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
GCI_foss_autotools: [foss2023b-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
GCI_foss_autotools: [foss2023a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
GCI_foss_debug_autotools: [foss2023a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
spack_foss-2023a_mpi_omp | 3.988937003730000e+03 | 1.632999965295312e-05 | 9.072222029418400e-01 | PASS |
GCI_foss_mpi_autotools: [foss2022a-mpi] | 3.988936973720000e+03 | -1.368000039292383e-05 | -7.600000218291016e-01 | PASS |
GCI_foss_mpi_autotools: [foss2023a-mpi] | 3.988936998860000e+03 | 1.145999976870371e-05 | 6.366666538168728e-01 | PASS |
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 3.988937003670000e+03 | 1.626999983272981e-05 | 9.038888795961004e-01 | PASS |
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 3.988937002940000e+03 | 1.553999982206733e-05 | 8.633333234481849e-01 | PASS |
cmake_foss_2022a_full_serial | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
cmake_foss_2022a_min_serial | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
cmake_foss_2022a_min_mpi | 3.988937003550000e+03 | 1.614999973753584e-05 | 8.972222076408798e-01 | PASS |
cmake_foss_2022a_full_mpi | 3.988937000680000e+03 | 1.327999962086324e-05 | 7.377777567146242e-01 | PASS |
spack_intel-2022a_impi_omp | 3.988937003540000e+03 | 1.613999984328984e-05 | 8.966666579605468e-01 | PASS |
spack_intel-2023a_serial | 3.988937002310000e+03 | 1.490999966335949e-05 | 8.283333146310825e-01 | PASS |
spack_intel-2022a_serial_omp | 3.988937003560000e+03 | 1.615999963178183e-05 | 8.977777573212127e-01 | PASS |
spack_intel-2023a_serial_omp | 3.988936996510000e+03 | 9.109999609790975e-06 | 5.061110894328319e-01 | PASS |
spack_intel-2023a_impi | 3.988937003340000e+03 | 1.593999968463322e-05 | 8.855555380351789e-01 | PASS |
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 3.988936998890000e+03 | 1.148999945144169e-05 | 6.383333028578717e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | 3.988937003730000e+03 | 1.632999965295312e-05 | 9.072222029418400e-01 | PASS |
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 3.988936998230000e+03 | 1.082999960999587e-05 | 6.016666449997703e-01 | PASS |
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 3.988937001210000e+03 | 1.380999947286909e-05 | 7.672221929371719e-01 | PASS |
GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 3.988937003520000e+03 | 1.611999960005051e-05 | 8.955555333361391e-01 | PASS |
GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 3.988937003520000e+03 | 1.611999960005051e-05 | 8.955555333361391e-01 | PASS |
spack_foss-2022a_cuda_serial | 3.988936998890000e+03 | 1.148999945144169e-05 | 6.383333028578717e-01 | PASS |
GCI_intel_mpi_autotools: [intel2023a-mpi] | 3.988936999340000e+03 | 1.193999969473225e-05 | 6.633333163740139e-01 | PASS |
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | 3.988937003670000e+03 | 1.626999983272981e-05 | 9.038888795961004e-01 | PASS |
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 3.988936996540000e+03 | 9.139999747276306e-06 | 5.077777637375726e-01 | PASS |