Match comparison for Multipoles [step 0] (match type 30239)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.211520628226222e-03 | 8.480000000000000e-06 | -1.207638970198689e-03 | 9.714340552816549e-07 | -1.209023837216071e-03 | 2.203741741667320e-06 | PASS |
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Detailed information
Reference: -0.001211520628226222, precision: 0.00000848| Run | Value | Difference | Relative difference | Status |
| GCI_foss_min_autotools: [foss2023a-serial] | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -1.208835305738704e-03 | 2.685322487518344e-06 | 3.166653876790499e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.208835305738704e-03 | 2.685322487518344e-06 | 3.166653876790499e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -1.207342494669292e-03 | 4.178133556930136e-06 | 4.927044288832708e-01 | PASS |
| spack_foss-2023a_serial_min | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| spack_foss-2022a_serial_min | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| spack_foss-2022a_ppc | -1.206862964333325e-03 | 4.657663892897396e-06 | 5.492528175586552e-01 | PASS |
| spack_foss-2022a_serial | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -1.206905980078915e-03 | 4.614648147306883e-06 | 5.441802060503399e-01 | PASS |
| spack_foss-2023a_serial | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.206855960809980e-03 | 4.664667416241991e-06 | 5.500787047455178e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -1.208835305738704e-03 | 2.685322487518344e-06 | 3.166653876790499e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -1.211227578957738e-03 | 2.930492684837752e-07 | 3.455769675516217e-02 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.208217935459097e-03 | 3.302692767125298e-06 | 3.894684866893041e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.208217935459097e-03 | 3.302692767125298e-06 | 3.894684866893041e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -1.208836025726717e-03 | 2.684602499504691e-06 | 3.165804834321569e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -1.206862964333325e-03 | 4.657663892897396e-06 | 5.492528175586552e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.207170303195532e-03 | 4.350325030690267e-06 | 5.130100272040409e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.208835305738704e-03 | 2.685322487518344e-06 | 3.166653876790499e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.206858697031063e-03 | 4.661931195158947e-06 | 5.497560371649702e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| spack_foss-2022a_mpi | -1.207327686412893e-03 | 4.192941813329016e-06 | 4.944506855340820e-01 | PASS |
| spack_foss-2023a_mpi | -1.207338933616825e-03 | 4.181694609396930e-06 | 4.931243643156757e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -1.207059168568420e-03 | 4.461459657802364e-06 | 5.261155256842410e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.208209044076813e-03 | 3.311584149408514e-06 | 3.905169987510040e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.206820095474403e-03 | 4.700532751818415e-06 | 5.543081075257565e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.207021473441761e-03 | 4.499154784461329e-06 | 5.305607057147794e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -1.207063797924138e-03 | 4.456830302084153e-06 | 5.255696110948294e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -1.206902018183159e-03 | 4.618610043062793e-06 | 5.446474107385370e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.208835305738704e-03 | 2.685322487518344e-06 | 3.166653876790499e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -1.211227578957738e-03 | 2.930492684837752e-07 | 3.455769675516217e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -1.208811838704527e-03 | 2.708789521695338e-06 | 3.194327266150162e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.208811838704527e-03 | 2.708789521695338e-06 | 3.194327266150162e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -1.208835305738704e-03 | 2.685322487518344e-06 | 3.166653876790499e-01 | PASS |
| spack_foss-2023b_serial | -1.207369550066020e-03 | 4.151078160201599e-06 | 4.895139339860377e-01 | PASS |
| spack_intel-2023a_serial | -1.207063797924138e-03 | 4.456830302084153e-06 | 5.255696110948294e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.206905980078915e-03 | 4.614648147306883e-06 | 5.441802060503399e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -1.207625528450398e-03 | 3.895099775823524e-06 | 4.593278037527741e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -1.206883492547120e-03 | 4.637135679101895e-06 | 5.468320376299405e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.207625528450398e-03 | 3.895099775823524e-06 | 4.593278037527741e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.206870077190808e-03 | 4.650551035413836e-06 | 5.484140371950278e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -1.206927696322302e-03 | 4.592931903920012e-06 | 5.416193282924542e-01 | PASS |
| spack_intel-2023a_impi | -1.206924165107273e-03 | 4.596463118948730e-06 | 5.420357451590483e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -1.206892249632885e-03 | 4.628378593337030e-06 | 5.457993624218195e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -1.207198926549816e-03 | 4.321701676406270e-06 | 5.096346316516828e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -1.207084994103338e-03 | 4.435634122883442e-06 | 5.230700616607833e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -1.207117049625214e-03 | 4.403578601007646e-06 | 5.192899293641092e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.206875088593198e-03 | 4.645539633023549e-06 | 5.478230699320223e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.206870077190808e-03 | 4.650551035413836e-06 | 5.484140371950278e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -1.206914247923435e-03 | 4.606380302786756e-06 | 5.432052243852307e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.208874102225449e-03 | 2.646526000772914e-06 | 3.120903302798248e-01 | PASS |