PASS: test_brh.sh PASS: test_lr_exc.sh PASS: test_lr_exc_hf.sh PASS: test_lr_pol.sh PASS: test_mixedbasis.sh PASS: test_roks.sh PASS: test_uhf.sh PASS: test_ci.sh PASS: test_homo_lumo_h2o.sh PASS: test_many_eigv_h2o.sh PASS: test_many_eigv_dft.sh =================================== ERGO 3.8: test/test-suite.log =================================== # TOTAL: 35 # PASS: 32 # SKIP: 0 # XFAIL: 0 # FAIL: 3 # XPASS: 0 # ERROR: 0 .. contents:: :depth: 2 FAIL: test_tdhf_dynamics.sh =========================== Testing H2 HF/6-311++Gss followed by TDHF electron dynamics Inline main molecule with 2 atoms. computed -1.132507431 reference -1.132507400 Energy OK computed 0.000000000 reference 0.000000000 Dipole value at time 0 OK computed -0.108469541 reference -0.108660000 Dipole value at time 14 OK computed -0.138050415 reference -0.141730000 Dipole value at time 21 OK computed -0.074787979 reference -0.085040000 Dipole value at time 28 OK computed 0.342383902 reference 0.340160000 Dipole value at time 45 OK computed 0.377960472 reference 0.373230000 Dipole value at time 49 OK computed 0.325377427 reference 0.340160000 Dipole value at time 54 OK computed 1.400855483 reference -0.477170000 ERROR output file saved as ergoscf.out.error.tdhfdynamics FAIL test_tdhf_dynamics.sh (exit status: 1) FAIL: test_dft_hicu.sh ====================== Testing twisted h2o BLYP/6-31G** with HiCu grid computed -76.347433147 reference -76.347465600 OK Testing H4 BHandHLYP/cc-pVDZ with HiCu grid computed -0.261447271 reference -0.261429400 OK Testing H2 BPW91/cc-pVTZ with HiCu grid ./test_dft_hicu.sh: line 95: 483059 Segmentation fault (core dumped) ./ergo < /dev/null molecule_inline H 2.0 3.0 11.12 H 2.5 3.2 11.31 EOF basis = "cc-pVTZ" scf.min_number_of_iterations = 2 scf.convergence_threshold = 1e-6 XC.type="HICU" run "BPW91" EOINPUT ERROR output file saved as ergoscf.out.error.dfthicu FAIL test_dft_hicu.sh (exit status: 1) FAIL: test_extracharges.sh ========================== Testing H2 HF/cc-pVTZ with one of the H atoms given as extra charge computed -2.121661189 reference -2.121661189 OK Testing two-h2o PBE0/3-21G with one of the molecules given as extra charges Exception (std::exception) caught in es_run: 'Error in compute_grid.' ERROR output file saved as ergoscf.out.error.extracharges FAIL test_extracharges.sh (exit status: 1) ============================================================================ Testsuite summary for ERGO 3.8 ============================================================================ # TOTAL: 35 # PASS: 32 # SKIP: 0 # XFAIL: 0 # FAIL: 3 # XPASS: 0 # ERROR: 0 ============================================================================ See test/test-suite.log Please report to info@ergoscf.org ============================================================================ make[3]: Leaving directory '/builddir/build/BUILD/ergo-3.8/test' make[2]: Leaving directory '/builddir/build/BUILD/ergo-3.8/test' make[1]: Leaving directory '/builddir/build/BUILD/ergo-3.8/test' RPM build errors: make[3]: *** [Makefile:570: test-suite.log] Error 1 make[2]: *** [Makefile:678: check-TESTS] Error 2 make[1]: *** [Makefile:989: check-am] Error 2 make: *** [Makefile:346: check-recursive] Error 1 error: Bad exit status from /var/tmp/rpm-tmp.98JP6a (%check) Bad exit status from /var/tmp/rpm-tmp.98JP6a (%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/ergo.spec