27 -0.1816834 -4.9439 28 -0.1383236 -3.7640 ... ... ... 65 1.7606321 47.9092 ------------------------------------------------------------- HL-Gap 0.0613604 Eh 1.6697 eV Fermi-level -0.3271310 Eh -8.9017 eV transition dipole moment (au) for excitation: 22 23 X Y Z 0.2157 0.3779 0.0506 total (au/Debye): 0.438 1.114 dE (eV) : 1.777 oscillator strength : 0.11816E-01 SCC (total) 0 d, 0 h, 0 min, 18.605 sec SCC setup ... 0 min, 0.062 sec ( 0.332%) Dispersion ... 0 min, 0.009 sec ( 0.049%) classical contributions ... 0 min, 0.006 sec ( 0.034%) integral evaluation ... 0 min, 1.689 sec ( 9.078%) iterations ... 0 min, 12.926 sec ( 69.474%) molecular gradient ... 0 min, 2.613 sec ( 14.045%) printout ... 0 min, 1.299 sec ( 6.982%) ::::::::::::::::::::::::::::::::::::::::::::::::::::: :: SUMMARY :: ::::::::::::::::::::::::::::::::::::::::::::::::::::: :: total energy -26.890550325485 Eh :: :: total w/o Gsasa/hb -26.867156191907 Eh :: :: gradient norm 0.061771762158 Eh/a0 :: :: HOMO-LUMO gap 1.669700128360 eV :: ::.................................................:: :: SCC energy -27.006615619235 Eh :: :: -> electrostatic 0.129463702100 Eh :: :: -> Gsolv -0.032350135972 Eh :: :: -> Gborn -0.008956002394 Eh :: :: -> Gsasa -0.026940010208 Eh :: :: -> Ghb 0.000000000000 Eh :: :: -> Gshift 0.003545876630 Eh :: :: repulsion energy 0.127020036113 Eh :: :: dispersion energy -0.010954742363 Eh :: :: halogen bond corr. 0.000000000000 Eh :: :: add. restraining 0.000000000000 Eh :: :: total charge -0.000000000000 e :: ::::::::::::::::::::::::::::::::::::::::::::::::::::: --- stderr --- Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG ERROR STOP Error termination. Backtrace: #0 0x3fe93fe4bf in ??? #1 0x3fe93fedd3 in ??? #2 0x3fe93ffbbb in ??? #3 0x2ae0e68d19 in terminate_ at ../src/mctc/error.f90:65 #4 0x2ae0e1cfd7 in test_gfn1_mindless_solvation_ at ../TESTSUITE/gfn1.f90:730 #5 0x2ae0dd852d in peeq_tester at ../TESTSUITE/tests_peeq.f90:86 #6 0x2ae0dd852d in main at ../TESTSUITE/tests_peeq.f90:2 assertion: 0.61771762157550E-01 == 0.61771913881691E-01 FAILED assertion: 1.6697001283598 == 1.6696997912942 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.Xn0ZKH (%check) Bad exit status from /var/tmp/rpm-tmp.Xn0ZKH (%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