0.1746 26 2.0000 -0.3538412 -9.6285 (HOMO) 27 -0.2234374 -6.0800 (LUMO) 28 -0.1745906 -4.7509 29 -0.1495802 -4.0703 30 -0.1135813 -3.0907 31 -0.0975671 -2.6549 ... ... ... 62 1.4149040 38.5015 ------------------------------------------------------------- HL-Gap 0.1304038 Eh 3.5485 eV Fermi-level -0.2886393 Eh -7.8543 eV SCC (total) 0 d, 0 h, 0 min, 12.837 sec SCC setup ... 0 min, 0.131 sec ( 1.023%) Dispersion ... 0 min, 0.019 sec ( 0.150%) classical contributions ... 0 min, 0.010 sec ( 0.081%) integral evaluation ... 0 min, 1.477 sec ( 11.506%) iterations ... 0 min, 9.363 sec ( 72.935%) molecular gradient ... 0 min, 1.730 sec ( 13.477%) printout ... 0 min, 0.104 sec ( 0.813%) ::::::::::::::::::::::::::::::::::::::::::::::::::::: :: SUMMARY :: ::::::::::::::::::::::::::::::::::::::::::::::::::::: :: total energy -33.075972501737 Eh :: :: total w/o Gsasa/hb -33.064904162474 Eh :: :: gradient norm 0.058133068939 Eh/a0 :: :: HOMO-LUMO gap 3.548468121722 eV :: ::.................................................:: :: SCC energy -33.235744103450 Eh :: :: -> electrostatic 0.225395831621 Eh :: :: -> Gsolv -0.038519213770 Eh :: :: -> Gborn -0.027450874506 Eh :: :: -> Gsasa -0.004257354323 Eh :: :: -> Ghb -0.008886455581 Eh :: :: -> Gshift 0.002075470640 Eh :: :: repulsion energy 0.167779236250 Eh :: :: dispersion energy -0.008007634537 Eh :: :: halogen bond corr. 0.000000000000 Eh :: :: add. restraining 0.000000000000 Eh :: ::::::::::::::::::::::::::::::::::::::::::::::::::::: --- stderr --- Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG ERROR STOP Error termination. Backtrace: #0 0x3fd35494bf in ??? #1 0x3fd3549dd3 in ??? #2 0x3fd354abbb in ??? #3 0x2ab6a30871 in terminate_ at ../src/mctc/error.f90:65 #4 0x2ab69e6903 in test_gfn1_mindless_solvation_ at ../TESTSUITE/gfn1.f90:728 #5 0x2ab69a241d in peeq_tester at ../TESTSUITE/tests_peeq.f90:86 #6 0x2ab69a241d in main at ../TESTSUITE/tests_peeq.f90:2 assertion: 0.58133068938812E-01 == 0.58132809354921E-01 FAILED assertion: 3.5484681217216 == 3.5484557435287 FAILED abnormal termination of test ------- Full log written to /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/meson-logs/testlog.txt RPM build errors: error: Bad exit status from /var/tmp/rpm-tmp.Z1ROjA (%check) Bad exit status from /var/tmp/rpm-tmp.Z1ROjA (%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