Match comparison for Energy [step 25] (match type 26972)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.729957629562090e+00 | 1.320000000000000e-10 | -3.747239933592940e+00 | 6.110217180166481e-02 | -3.846613181606448e+00 | 1.166555521338264e-01 | 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: -3.72995762956209, precision: 0.000000000132| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.729957629591378e+00 | -2.928768338961163e-11 | -2.218763893152396e-01 | PASS |
| foss-2022a_ppc | -3.729957629557904e+00 | 4.185984892046690e-12 | 3.171200675792947e-02 | PASS |
| spack_foss-2022a_serial_min | -3.729957629591378e+00 | -2.928768338961163e-11 | -2.218763893152396e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.729957629591378e+00 | -2.928768338961163e-11 | -2.218763893152396e-01 | PASS |
| spack_foss-2022a_serial | -3.729957629591378e+00 | -2.928768338961163e-11 | -2.218763893152396e-01 | PASS |
| foss-2022a_opt | -3.729957629628352e+00 | -6.626166282330814e-11 | -5.019822941159707e-01 | PASS |
| intel-2022b | -3.729957629569919e+00 | -7.829292769656604e-12 | -5.931282401255002e-02 | PASS |
| intel-2022a | -3.729957629569919e+00 | -7.829292769656604e-12 | -5.931282401255002e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.729957629620457e+00 | -5.836664485059373e-11 | -4.421715518984373e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.729957629568741e+00 | -6.650680006714538e-12 | -5.038393944480710e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.729957629591378e+00 | -2.928768338961163e-11 | -2.218763893152396e-01 | PASS |
| foss-2022a_omp | -3.729957629472621e+00 | 8.946887675165272e-11 | 6.777945208458539e-01 | PASS |
| eb_fosscuda-2022a | -3.963268733740274e+00 | -2.333111041781839e-01 | -1.767508364986242e+09 | FAIL |
| intel-2022a_omp | -3.729957629564917e+00 | -2.827071909905499e-12 | -2.141721143867802e-02 | PASS |
| intel-2022b_impi | -3.729957629560555e+00 | 1.534772309241816e-12 | 1.162706294880164e-02 | PASS |
| intel-2022a_impi | -3.729957629560555e+00 | 1.534772309241816e-12 | 1.162706294880164e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.963268733707433e+00 | -2.333111041453426e-01 | -1.767508364737444e+09 | FAIL |
| cmake_foss_2022a_min_serial | -3.729957629591378e+00 | -2.928768338961163e-11 | -2.218763893152396e-01 | PASS |
| foss-2022a_mpi_omp | -3.729957629569051e+00 | -6.960654275189881e-12 | -5.273222935749910e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.729957629620457e+00 | -5.836664485059373e-11 | -4.421715518984373e-01 | PASS |
| eb_foss-2022a | -3.729957629628352e+00 | -6.626166282330814e-11 | -5.019822941159707e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.729957629534120e+00 | 2.797051479319634e-11 | 2.118978393423965e-01 | PASS |
| eb_foss-2022a_debug | -3.729957629628352e+00 | -6.626166282330814e-11 | -5.019822941159707e-01 | PASS |
| intel-2022a_omp_impi | -3.729957629546629e+00 | 1.546140993013978e-11 | 1.171318934101498e-01 | PASS |
| eb_foss-2022a_mpi | -3.729957629555147e+00 | 6.942890706795879e-12 | 5.259765686966575e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.729957629702217e+00 | -1.401270210976691e-10 | -1.061568341649008e+00 | FAIL |
| eb_foss-2022a_mpi_debug | -3.729957629555147e+00 | 6.942890706795879e-12 | 5.259765686966575e-02 | PASS |