All tests passed, but binary segfaulting: What is going on?!

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Espen Tangen

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May 14, 2019, 3:28:13 AM5/14/19
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I am trying to run the H2O-128.inp with both popt and psmp; and for both - where I have spent some time getting them through the test-suite; I get this:

 Extrapolation method: initial_guess
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
cp2k.popt          00000000089144D4  for__signal_handl     Unknown  Unknown
libpthread-2.17.s  00002AFA6D7B16D0  Unknown               Unknown  Unknown
cp2k.popt          0000000002650F5F  Unknown               Unknown  Unknown
cp2k.popt          000000000264B9F1  Unknown               Unknown  Unknown
cp2k.popt          000000000264ACF8  Unknown               Unknown  Unknown
cp2k.popt          000000000263E6D7  Unknown               Unknown  Unknown
cp2k.popt          000000000263A05F  Unknown               Unknown  Unknown
cp2k.popt          0000000001080525  Unknown               Unknown  Unknown
cp2k.popt          0000000000C8209F  Unknown               Unknown  Unknown
cp2k.popt          0000000001145C3A  Unknown               Unknown  Unknown
cp2k.popt          00000000011466CA  Unknown               Unknown  Unknown
cp2k.popt          00000000011504D2  Unknown               Unknown  Unknown
cp2k.popt          0000000000D8F0FA  Unknown               Unknown  Unknown
cp2k.popt          00000000009ACC21  Unknown               Unknown  Unknown
cp2k.popt          00000000013866E5  Unknown               Unknown  Unknown
cp2k.popt          0000000001384D49  Unknown               Unknown  Unknown
cp2k.popt          0000000000FA0352  Unknown               Unknown  Unknown
cp2k.popt          0000000000534357  Unknown               Unknown  Unknown
cp2k.popt          000000000053372F  Unknown               Unknown  Unknown
cp2k.popt          0000000000496DBE  Unknown               Unknown  Unknown
cp2k.popt          0000000000495952  Unknown               Unknown  Unknown
cp2k.popt          000000000046C82D  Unknown               Unknown  Unknown
cp2k.popt          00000000089784D2  main                  Unknown  Unknown
libc-2.17.so       00002AFA74903445  __libc_start_main     Unknown  Unknown
cp2k.popt          000000000046BD29  Unknown               Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
cp2k.popt          00000000089144D4  for__signal_handl     Unknown  Unknown
libpthread-2.17.s  00002B1E631696D0  Unknown               Unknown  Unknown
cp2k.popt          0000000002650F5F  Unknown               Unknown  Unknown
cp2k.popt          000000000264B9F1  Unknown               Unknown  Unknown
cp2k.popt          000000000264ACF8  Unknown               Unknown  Unknown
cp2k.popt          000000000263E6D7  Unknown               Unknown  Unknown
cp2k.popt          000000000263A05F  Unknown               Unknown  Unknown
cp2k.popt          0000000001080525  Unknown               Unknown  Unknown
cp2k.popt          0000000000C8209F  Unknown               Unknown  Unknown
cp2k.popt          0000000001145C3A  Unknown               Unknown  Unknown
cp2k.popt          00000000011466CA  Unknown               Unknown  Unknown
cp2k.popt          00000000011504D2  Unknown               Unknown  Unknown
cp2k.popt          0000000000D8F0FA  Unknown               Unknown  Unknown
cp2k.popt          00000000009ACC21  Unknown               Unknown  Unknown
cp2k.popt          00000000013866E5  Unknown               Unknown  Unknown
cp2k.popt          0000000001384D49  Unknown               Unknown  Unknown
cp2k.popt          0000000000FA0352  Unknown               Unknown  Unknown
cp2k.popt          0000000000534357  Unknown               Unknown  Unknown
cp2k.popt          000000000053372F  Unknown               Unknown  Unknown
cp2k.popt          0000000000496DBE  Unknown               Unknown  Unknown
cp2k.popt          0000000000495952  Unknown               Unknown  Unknown
cp2k.popt          000000000046C82D  Unknown               Unknown  Unknown
cp2k.popt          00000000089784D2  main                  Unknown  Unknown
libc-2.17.so       00002B1E6A2BB445  __libc_start_main     Unknown  Unknown
cp2k.popt          000000000046BD29  Unknown               Unknown  Unknown

submit command is:

 mpirun cp2k.popt H2O-128.inp

or corresponding for psmp binary.

Frederick Stein

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May 14, 2019, 11:03:58 AM5/14/19
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Hi Espen,

Without any further hints, it is rather difficult to provide a diagnosis. (cf. https://www.cp2k.org/howto:gethelp)
Could you provide your input and output files (input file is from tests/QS/benchmark, isn't it?). The backtracing that you provided is not useful. For the output file, could you recompile with added debug options (for intel: -g -traceback, for gnu: -g) and rerun the calculation.

Regards
Frederick
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