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`xtb/peeq` test failure with GCC-14 in CI

Open foxtran opened this issue 10 months ago • 0 comments

See https://github.com/grimme-lab/xtb/actions/runs/14146885683/job/39635264376

Stacktrace:

Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation.

Backtrace for this error:
#0  0x7fd648423e59 in ???
#1  0x7fd648422e75 in ???
#2  0x7fd645c4532f in ???
#3  0x557b32904d03 in __xtb_intgrad_MOD_multipole_3d
	at /home/runner/work/xtb/xtb/src/intgrad.f90:540
#4  0x557b328fff15 in __xtb_intgrad_MOD_get_overlap
	at /home/runner/work/xtb/xtb/src/intgrad.f90:792
#5  0x557b329ac58c in __xtb_peeq_MOD_ccm_build_sh0._omp_fn.0
	at /home/runner/work/xtb/xtb/src/peeq_module.f90:982
#6  0x7fd6487e7976 in ???
#7  0x557b32985c41 in ccm_build_sh0
	at /home/runner/work/xtb/xtb/src/peeq_module.f90:910
#8  0x557b329965e9 in __xtb_peeq_MOD_peeq
	at /home/runner/work/xtb/xtb/src/peeq_module.f90:445
#9  0x557b3279d247 in __xtb_xtb_calculator_MOD_singlepoint
	at /home/runner/work/xtb/xtb/src/xtb/calculator.f90:269
#10  0x557b32184dfc in test_peeq_api
	at /home/runner/work/xtb/xtb/test/unit/test_peeq.f90:267
#11  0x557b32024515 in run_unittest
	at /home/runner/work/xtb/xtb/test/unit/main.f90:169
#12  0x557b32024a6e in run_testsuite
	at /home/runner/work/xtb/xtb/test/unit/main.f90:149
#13  0x557b32023381 in tester
	at /home/runner/work/xtb/xtb/test/unit/main.f90:103
#14  0x557b32024b5f in main
	at /home/runner/work/xtb/xtb/test/unit/main.f90:20

foxtran avatar Mar 29 '25 15:03 foxtran