Match comparison for Hartree energy (match type 30235)

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Input 14-fullerene_unpacked.01-gs.inp

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
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Detailed information

Reference: 3988.9369874000004, precision: 0.000018
Run 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