Match comparison for Energy [step 50] (match type 26973)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.067822714044306e+00 | 1.890000000000000e-10 | -4.069605615908433e+00 | 6.303509908192689e-03 | -4.079857301446007e+00 | 1.203458748216413e-02 | FAIL |
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: -4.067822714044306, precision: 0.000000000189| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.067822714075868e+00 | -3.156230832246365e-11 | -1.669963403304955e-01 | PASS |
| foss-2022a_ppc | -4.067822714045100e+00 | -7.940315072119120e-13 | -4.201224905883132e-03 | PASS |
| spack_foss-2022a_serial_min | -4.067822714075868e+00 | -3.156230832246365e-11 | -1.669963403304955e-01 | PASS |
| spack_foss-2022a_serial_opt | -4.067822714075868e+00 | -3.156230832246365e-11 | -1.669963403304955e-01 | PASS |
| spack_foss-2022a_serial | -4.067822714075868e+00 | -3.156230832246365e-11 | -1.669963403304955e-01 | PASS |
| foss-2022a_opt | -4.067822714115402e+00 | -7.109601796173592e-11 | -3.761694072049520e-01 | PASS |
| intel-2022b | -4.067822714054594e+00 | -1.028777063538655e-11 | -5.443264886447911e-02 | PASS |
| intel-2022a | -4.067822714054594e+00 | -1.028777063538655e-11 | -5.443264886447911e-02 | PASS |
| cmake_foss_2022a_full_mpi | -4.067822714102826e+00 | -5.852029971720185e-11 | -3.096312154349304e-01 | PASS |
| spack_foss-2022a_serial_omp | -4.067822714056252e+00 | -1.194599974496668e-11 | -6.320634785696659e-02 | PASS |
| spack_foss-2022a_serial_debug | -4.067822714075868e+00 | -3.156230832246365e-11 | -1.669963403304955e-01 | PASS |
| foss-2022a_omp | -4.067822713963843e+00 | 8.046274757589345e-11 | 4.257288231528754e-01 | PASS |
| eb_fosscuda-2022a | -4.091891888902291e+00 | -2.406917485798488e-02 | -1.273501315237295e+08 | FAIL |
| intel-2022a_omp | -4.067822714053081e+00 | -8.775202786637237e-12 | -4.642964437374199e-02 | PASS |
| intel-2022b_impi | -4.067822714046172e+00 | -1.866062859789963e-12 | -9.873348464497160e-03 | PASS |
| intel-2022a_impi | -4.067822714046172e+00 | -1.866062859789963e-12 | -9.873348464497160e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | -4.091891888928171e+00 | -2.406917488386551e-02 | -1.273501316606641e+08 | FAIL |
| cmake_foss_2022a_min_serial | -4.067822714075868e+00 | -3.156230832246365e-11 | -1.669963403304955e-01 | PASS |
| foss-2022a_mpi_omp | -4.067822714048656e+00 | -4.350297899691213e-12 | -2.301744920471542e-02 | PASS |
| cmake_foss_2022a_min_mpi | -4.067822714102826e+00 | -5.852029971720185e-11 | -3.096312154349304e-01 | PASS |
| eb_foss-2022a | -4.067822714115402e+00 | -7.109601796173592e-11 | -3.761694072049520e-01 | PASS |
| eb_foss-2022b_libxc6 | -4.067822714024611e+00 | 1.969446827843058e-11 | 1.042035358647121e-01 | PASS |
| eb_foss-2022a_debug | -4.067822714115402e+00 | -7.109601796173592e-11 | -3.761694072049520e-01 | PASS |
| intel-2022a_omp_impi | -4.067822714033635e+00 | 1.067057553427730e-11 | 5.645807160993283e-02 | PASS |
| eb_foss-2022a_mpi | -4.067822714040978e+00 | 3.328004538616369e-12 | 1.760848962230883e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -4.067822714181492e+00 | -1.371862623500419e-10 | -7.258532399473119e-01 | PASS |
| eb_foss-2022a_mpi_debug | -4.067822714040978e+00 | 3.328004538616369e-12 | 1.760848962230883e-02 | PASS |