Match comparison for XC potential (match type 15532)
Commits >
Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 >
Input 05-ks_inversion.02-two_particle.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.801688430990030e-01 | 2.000000000000000e-02 | -4.821889614916301e-01 | 3.078939107653791e-04 | -4.817745936768665e-01 | 6.263693656704816e-04 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.480168843099003, precision: 0.02| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2023a_serial_min | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2022a_ppc | -4.823736408728350e-01 | -2.204797773832035e-03 | -1.102398886916017e-01 | PASS |
| spack_foss-2023a_serial | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2022a_serial | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2023b_serial | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.822980699524890e-01 | -2.129226853485988e-03 | -1.064613426742994e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.811482243111960e-01 | -9.793812121930423e-04 | -4.896906060965212e-02 | PASS |
| spack_foss-2023a_mpi_opt | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2023a_mpi | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.824009630425140e-01 | -2.232119943511024e-03 | -1.116059971755512e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.824009630425370e-01 | -2.232119943534006e-03 | -1.116059971767003e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.822980699524890e-01 | -2.129226853485988e-03 | -1.064613426742994e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_intel-2023a_serial | -4.821020275916000e-01 | -1.933184492596995e-03 | -9.665922462984977e-02 | PASS |
| spack_foss-2022a_mpi_min | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.811482243111960e-01 | -9.793812121930423e-04 | -4.896906060965212e-02 | PASS |
| spack_foss-2022a_mpi | -4.822980699524310e-01 | -2.129226853428035e-03 | -1.064613426714017e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.821020275914580e-01 | -1.933184492454998e-03 | -9.665922462274990e-02 | PASS |
| spack_intel-2023a_impi | -4.821020275916000e-01 | -1.933184492596995e-03 | -9.665922462984977e-02 | PASS |
| spack_foss-2023a_valgrind | -4.818494943144020e-01 | -1.680651215399009e-03 | -8.403256076995047e-02 | PASS |