7 2.0000 -0.4118149 -11.2061 18 2.0000 -0.4080381 -11.1033 19 2.0000 -0.3739635 -10.1761 20 2.0000 -0.3654470 -9.9443 21 2.0000 -0.3574180 -9.7258 22 2.0000 -0.3559317 -9.6854 (HOMO) 23 -0.2644278 -7.1954 (LUMO) 24 -0.2158581 -5.8738 25 -0.2062215 -5.6116 26 -0.1911307 -5.2009 27 -0.1640120 -4.4630 ... ... ... 62 3.4207748 93.0840 ------------------------------------------------------------- HL-Gap 0.0915039 Eh 2.4899 eV Fermi-level -0.3101797 Eh -8.4404 eV SCC (total) 0 d, 0 h, 0 min, 11.378 sec SCC setup ... 0 min, 0.023 sec ( 0.198%) Dispersion ... 0 min, 0.004 sec ( 0.039%) classical contributions ... 0 min, 0.020 sec ( 0.171%) integral evaluation ... 0 min, 1.188 sec ( 10.441%) iterations ... 0 min, 8.557 sec ( 75.207%) molecular gradient ... 0 min, 1.508 sec ( 13.256%) printout ... 0 min, 0.075 sec ( 0.662%) ::::::::::::::::::::::::::::::::::::::::::::::::::::: :: SUMMARY :: ::::::::::::::::::::::::::::::::::::::::::::::::::::: :: total energy -25.818131312412 Eh :: :: gradient norm 0.050970524286 Eh/a0 :: :: HOMO-LUMO gap 2.489947656215 eV :: ::.................................................:: :: SCC energy -25.966980173522 Eh :: :: -> electrostatic 0.191743345416 Eh :: :: repulsion energy 0.158189071183 Eh :: :: dispersion energy -0.009340210073 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 0x3fb95484bf in ??? #1 0x3fb9548dd3 in ??? #2 0x3fb9549bbb in ??? #3 0x2adf0c7d19 in terminate_ at ../src/mctc/error.f90:65 #4 0x2adf07a743 in test_gfn1_mindless_basic_ at ../TESTSUITE/gfn1.f90:639 #5 0x2adf03754b in peeq_tester at ../TESTSUITE/tests_peeq.f90:85 #6 0x2adf03754b in main at ../TESTSUITE/tests_peeq.f90:2 assertion: 0.50970524286120E-01 == 0.50970505747783E-01 FAILED assertion: 2.4899476562146 == 2.4899572196060 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.J9SCvD (%check) Bad exit status from /var/tmp/rpm-tmp.J9SCvD (%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