Segmentation fault with gcc 7.2.0

[Alfio Lazzaro]

Hello Anton,
do I understand correctly that you are using H2O_grad_gpw.inp from the test 
directory:

./tests/QS/regtest-mp2-grad/H2O_grad_gpw.inp

? If so, I have compiled CP2K (trunk, sopt version) with GCC 7.2.0 and it 
works. 
What about if you run the sdbg version without valgrind, do you get the 
same error?
Please, attach your arch and inp files.

Alfio

Il giorno lunedì 16 ottobre 2017 16:28:02 UTC+2, Anton Kudelin ha scritto:
>
>
> Hi all,
>
> I'm getting following error while compiling CP2K (4.1, trunk) with gcc 
> 7.2.0:
>
> ==19372== Memcheck, a memory error detector
> ==19372== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al.
> ==19372== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright 
> info
> ==19372== Command: ./cp2k.sopt -i H2O_grad_gpw.inp -o H2O_grad_gpw.out
> ==19372== 
> At line 1015 of file cp2k-5.0/src/motion/bfgs_optimizer.F
> Fortran runtime warning: An array temporary was created for argument 'r1' 
> of procedure 'dist_second_deriv'
> At line 1008 of file cp2k-5.0/src/motion/bfgs_optimizer.F
> Fortran runtime warning: An array temporary was created for argument 'r1' 
> of procedure 'dist_second_deriv'
> At line 1544 of file cp2k-5.0/src/common/mathlib.F
> Fortran runtime warning: An array temporary was created for argument 'a' 
> of procedure 'diag'
> At line 1544 of file cp2k-5.0/src/common/mathlib.F
> Fortran runtime warning: An array temporary was created for argument 'v' 
> of procedure 'diag'
> At line 318 of file cp2k-5.0/src/atom_operators.F
> Fortran runtime warning: An array temporary was created for argument 'a' 
> of procedure 'dgesv'
> At line 318 of file cp2k-5.0/src/atom_operators.F
> Fortran runtime warning: An array temporary was created for argument 'b' 
> of procedure 'dgesv'
> ==19372== Jump to the invalid address stated on the next line
> ==19372==    at 0x0: ???
> ==19372==    by 0x1FFEFF599F: ???
> ==19372==  Address 0x0 is not stack'd, malloc'd or (recently) free'd
> ==19372== 
>
> Program received signal SIGSEGV: Segmentation fault - invalid memory 
> reference.
>
> Backtrace for this error:
> #0  0xbf8b91f in ???
> #1  0x0 in ???
> ==19372== 
> ==19372== Process terminating with default action of signal 11 (SIGSEGV): 
> dumping core
> ==19372==    at 0xAFC7C1E: raise (in /usr/lib/libpthread-2.26.so)
> ==19372==    by 0xBF8B91F: ??? (in /usr/lib/libc-2.26.so)
> ==19372== 
> ==19372== HEAP SUMMARY:
> ==19372==     in use at exit: 39,873,124 bytes in 121,430 blocks
> ==19372==   total heap usage: 770,577 allocs, 649,147 frees, 250,615,339 
> bytes allocated
> ==19372== 
> ==19372== LEAK SUMMARY:
> ==19372==    definitely lost: 0 bytes in 0 blocks
> ==19372==    indirectly lost: 0 bytes in 0 blocks
> ==19372==      possibly lost: 110,304 bytes in 4 blocks
> ==19372==    still reachable: 39,762,820 bytes in 121,426 blocks
> ==19372==         suppressed: 0 bytes in 0 blocks
> ==19372== Rerun with --leak-check=full to see details of leaked memory
> ==19372== 
> ==19372== For counts of detected and suppressed errors, rerun with: -v
> ==19372== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 0 from 0)
>
> All other programs linked with libc and libpthread work well. Any ideas 
> how to fix?
>
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