1.0000 -0.3388042 -9.2193 (HOMO) 20 -0.2681601 -7.2970 (LUMO) 21 -0.2528753 -6.8811 22 -0.2450088 -6.6670 23 -0.2254765 -6.1355 24 -0.1879464 -5.1143 ... ... ... 58 2.7699378 75.3738 ------------------------------------------------------------- HL-Gap 0.0706441 Eh 1.9223 eV Fermi-level 0.0000000 Eh 0.0000 eV EHT (total) 0 d, 0 h, 0 min, 1.811 sec EHT setup ... 0 min, 0.005 sec ( 0.259%) Coordination number ... 0 min, 0.003 sec ( 0.184%) EEQ model density ... 0 min, 0.107 sec ( 5.912%) D4 Dispersion ... 0 min, 0.122 sec ( 6.724%) Integral evaluation ... 0 min, 0.379 sec ( 20.952%) Cholesky factorization ... 0 min, 0.070 sec ( 3.874%) Zeroth order Hamiltonian ... 0 min, 0.767 sec ( 42.379%) Gradient calculation ... 0 min, 0.261 sec ( 14.422%) ::::::::::::::::::::::::::::::::::::::::::::::::::::: :: SUMMARY :: ::::::::::::::::::::::::::::::::::::::::::::::::::::: :: total energy -19.745175176487 Eh :: :: gradient norm 0.148391749022 Eh/a0 :: :: HOMO-LUMO gap 1.922323319893 eV :: ::.................................................:: :: H0 energy -19.768406956115 Eh :: :: repulsion energy 0.207395468665 Eh :: :: electrostat energy -0.147925867883 Eh :: :: -> Gsolv 0.000000000000 Eh :: :: -> Gsasa 0.000000000000 Eh :: :: -> Gshift 0.000000000000 Eh :: :: dispersion energy -0.005467270741 Eh :: :: short-range corr. -0.030770550413 Eh :: :: add. restraining 0.000000000000 Eh :: :: total charge -0.000000000000 e :: ::::::::::::::::::::::::::::::::::::::::::::::::::::: --- stderr --- Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG ERROR STOP Error termination. Backtrace: #0 0x3feca714bf in ??? #1 0x3feca71dd3 in ??? #2 0x3feca72bbb in ??? #3 0x2aaeadcd19 in terminate_ at ../src/mctc/error.f90:65 #4 0x2aaea82c33 in test_gfn0_mindless_basic_ at ../TESTSUITE/gfn0.f90:376 #5 0x2aaea4c4e7 in peeq_tester at ../TESTSUITE/tests_peeq.f90:96 #6 0x2aaea4c4e7 in main at ../TESTSUITE/tests_peeq.f90:2 assertion: -19.745175176487 == -18.814024099835 FAILED assertion: 0.14839174902151 == 0.99951528586070E-01 FAILED assertion: 1.9223233198934 == 0.98739332945590 FAILED abnormal termination of test ------- Full log written to /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-logs/testlog.txt RPM build errors: error: Bad exit status from /var/tmp/rpm-tmp.RIxBA6 (%check) Bad exit status from /var/tmp/rpm-tmp.RIxBA6 (%check) Child return code was: 1 EXCEPTION: [Error()] Traceback (most recent call last): File "/usr/lib/python3.8/site-packages/mockbuild/trace_decorator.py", line 95, in trace result = func(*args, **kw) File "/usr/lib/python3.8/site-packages/mockbuild/util.py", line 746, in do_with_status raise exception.Error("Command failed: \n # %s\n%s" % (command, output), child.returncode) mockbuild.exception.Error: Command failed: # bash --login -c /usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec