logs/test_at_serial/2021-10-12_00-46-31.diff possible FAILURE: check /usr/local/amber20///AmberTools/src/mm_pbsa/Examples/05_MMPBSA_Decomp_Residue/test_statistics.out.dif ### Maximum absolute error in matching lines = 1.00e-02 at line 6 field 65 ### Maximum relative error in matching lines = 7.14e-03 at line 6 field 65 possible FAILURE: (ignored) check /usr/local/amber20/AmberTools/src/FEW/examples/test/calc_a_1t/AMT/pqr_snaps/AMT_rec.pqr.3.dif ### Maximum absolute error in matching lines = 5.00e+00 at line 421 field 2 ### Maximum relative error in matching lines = 8.00e-01 at line 9 field 2 possible FAILURE: (ignored) check min.out.dif logs/test_at_cuda/2021-10-12_10-26-42.diff possible FAILURE: (ignored) check mdout.1a93_B.p22.min_bc2.dif ### Maximum absolute error in matching lines = 2.20e+02 at line 929 field 4 ### Maximum relative error in matching lines = 4.30e+39 at line 932 field 4 possible FAILURE: (ignored) check mdout.1a93_B.p22.min_bc5.dif ### Maximum absolute error in matching lines = 9.83e+02 at line 934 field 4 ### Maximum relative error in matching lines = 2.00e+39 at line 932 field 4 possible FAILURE: (ignored) check mdout.1a93_B.p22.min_bc10.dif ### Maximum absolute error in matching lines = 9.82e+02 at line 936 field 3 ### Maximum relative error in matching lines = 4.19e+21 at line 932 field 4 logs/test_amber_cuda/2021-10-12_10-27-41.diff possible FAILURE: check irest1_ntt0_igb7_ntc2.out.dif ### Maximum absolute error in matching lines = 6.19e+00 at line 132 field 3 ### Maximum relative error in matching lines = 4.11e-01 at line 168 field 3 possible FAILURE: check irest1_ntt0_igb8_ntc2.out.dif ### Maximum absolute error in matching lines = 4.99e+00 at line 153 field 3 ### Maximum relative error in matching lines = 3.12e-01 at line 177 field 3 possible FAILURE: check myoglobin_md_igb7.out.dif ### Maximum absolute error in matching lines = 7.84e+02 at line 62 field 3 ### Maximum relative error in matching lines = 9.69e-01 at line 86 field 3 possible FAILURE: check myoglobin_md_igb8.out.dif ### Maximum absolute error in matching lines = 6.59e+02 at line 71 field 3 ### Maximum relative error in matching lines = 6.53e-01 at line 201 field 4 possible FAILURE: check myoglobin_md_igb8_gbsa.out.dif ### Maximum absolute error in matching lines = 6.59e+02 at line 113 field 3 ### Maximum relative error in matching lines = 9.69e-01 at line 154 field 2 possible FAILURE: (ignored) check myoglobin_md_igb8_gbsa3.out.dif ### Maximum absolute error in matching lines = 6.59e+02 at line 113 field 3 ### Maximum relative error in matching lines = 7.25e-01 at line 152 field 4 possible FAILURE: (ignored) check mdout.mcwat.dif ### Maximum absolute error in matching lines = 6.10e-02 at line 144 field 3 ### Maximum relative error in matching lines = 1.55e-01 at line 100 field 7 logs/test_at_parallel/2021-10-12_11-59-30.diff possible FAILURE: check erism.pme.out.dif ### Maximum absolute error in matching lines = 4.87e+01 at line 9 field 2 ### Maximum relative error in matching lines = 6.12e-03 at line 2 field 2 possible FAILURE: check rem.log.dif logs/test_amber_parallel/2021-10-12_12-09-43.diff possible FAILURE: (ignored) check campTI.out.dif logs/test_amber_cuda_parallel/2021-10-12_22-48-22.diff possible FAILURE: check myoglobin_md_igb7.out.dif ### Maximum absolute error in matching lines = 7.87e+02 at line 62 field 3 ### Maximum relative error in matching lines = 9.72e-01 at line 86 field 3 possible FAILURE: check myoglobin_md_igb8.out.dif ### Maximum absolute error in matching lines = 6.61e+02 at line 71 field 3 ### Maximum relative error in matching lines = 6.52e-01 at line 201 field 4 possible FAILURE: check myoglobin_md_igb8_gbsa.out.dif ### Maximum absolute error in matching lines = 6.61e+02 at line 113 field 3 ### Maximum relative error in matching lines = 9.58e-01 at line 154 field 2 possible FAILURE: (ignored) check myoglobin_md_igb8_gbsa3.out.dif ### Maximum absolute error in matching lines = 6.61e+02 at line 113 field 3 ### Maximum relative error in matching lines = 7.23e-01 at line 152 field 4 possible FAILURE: check rem.log.dif possible FAILURE: check rem.out.002.dif possible FAILURE: check rem.out.003.dif possible FAILURE: check rem.out.004.dif possible FAILURE: check rem.log.1.dif possible FAILURE: check rem.log.2.dif possible FAILURE: check rem.out.000.dif possible FAILURE: check rem.out.001.dif possible FAILURE: check rem.out.002.dif possible FAILURE: check rem.out.003.dif possible FAILURE: check rem.log.dif possible FAILURE: check rem.out.000.dif possible FAILURE: check rem.out.001.dif possible FAILURE: check rem.out.002.dif possible FAILURE: check rem.out.003.dif possible FAILURE: check rem.log.dif possible FAILURE: check rem.out.000.dif possible FAILURE: check rem.out.001.dif possible FAILURE: check rem.out.002.dif possible FAILURE: check rem.out.003.dif possible FAILURE: check rem.log.dif possible FAILURE: check neb_gb_partial_01.out.dif ### Maximum absolute error in matching lines = 8.23e+01 at line 453 field 6 ### Maximum relative error in matching lines = 2.88e+00 at line 477 field 6 possible FAILURE: check neb_gb_partial_02.out.dif ### Maximum absolute error in matching lines = 8.23e+01 at line 453 field 6 ### Maximum relative error in matching lines = 7.57e-01 at line 451 field 6 possible FAILURE: check neb_gb_partial_03.out.dif ### Maximum absolute error in matching lines = 8.23e+01 at line 453 field 6 ### Maximum relative error in matching lines = 1.03e+02 at line 219 field 9 possible FAILURE: check neb_gb_partial_04.out.dif ### Maximum absolute error in matching lines = 8.23e+01 at line 453 field 6 ### Maximum relative error in matching lines = 1.57e+01 at line 477 field 6 possible FAILURE: check neb_gb_full_01.out.dif ### Maximum absolute error in matching lines = 1.02e+02 at line 453 field 6 ### Maximum relative error in matching lines = 1.97e+01 at line 397 field 6 possible FAILURE: check neb_gb_full_02.out.dif ### Maximum absolute error in matching lines = 1.02e+02 at line 453 field 6 ### Maximum relative error in matching lines = 1.97e+01 at line 397 field 6 possible FAILURE: check neb_gb_full_03.out.dif ### Maximum absolute error in matching lines = 1.48e+02 at line 219 field 9 ### Maximum relative error in matching lines = 2.42e+02 at line 205 field 9 possible FAILURE: check neb_gb_full_04.out.dif ### Maximum absolute error in matching lines = 1.02e+02 at line 453 field 6 ### Maximum relative error in matching lines = 1.97e+01 at line 397 field 6