------- Comment #24 from jv244 at cam dot ac dot uk  2009-01-09 06:18 -------
(In reply to comment #22)
> Program received signal SIGSEGV, Segmentation fault.
> __mc_moves_MOD_change_bond_length () at
> /scratch/vondele/clean/cp2k/src/../src/mc_moves.F:1434
> 1434          atom_b(:)=0
> 

additional valgrind info:

==4525== Use of uninitialised value of size 8
==4525==    at 0xB93AFB: __mc_moves_MOD_change_bond_length (mc_moves.F:1434)
==4525==    by 0xB9C478: __mc_moves_MOD_mc_conformation_change (mc_moves.F:273)
==4525==    by 0xB68830: __mc_ensembles_MOD_mc_run_ensemble
(mc_ensembles.F:754)
==4525==    by 0xBA4623: __mc_run_MOD_do_mon_car (mc_run.F:328)
==4525==    by 0x562C3F: __cp2k_runs_MOD_cp2k_run (cp2k_runs.F:335)
==4525==    by 0x565B36: __cp2k_runs_MOD_run_input (cp2k_runs.F:1079)
==4525==    by 0x1456510: MAIN__ (cp2k.F:272)
==4525==    by 0x14575E9: main (fmain.c:21)
==4525==
==4525== Invalid write of size 4
==4525==    at 0xB93AFB: __mc_moves_MOD_change_bond_length (mc_moves.F:1434)
==4525==    by 0xB9C478: __mc_moves_MOD_mc_conformation_change (mc_moves.F:273)
==4525==    by 0xB68830: __mc_ensembles_MOD_mc_run_ensemble
(mc_ensembles.F:754)
==4525==    by 0xBA4623: __mc_run_MOD_do_mon_car (mc_run.F:328)
==4525==    by 0x562C3F: __cp2k_runs_MOD_cp2k_run (cp2k_runs.F:335)
==4525==    by 0x565B36: __cp2k_runs_MOD_run_input (cp2k_runs.F:1079)
==4525==    by 0x1456510: MAIN__ (cp2k.F:272)
==4525==    by 0x14575E9: main (fmain.c:21)
==4525==  Address 0x4 is not stack'd, malloc'd or (recently) free'd
==4525==
==4525== Process terminating with default action of signal 11 (SIGSEGV)
==4525==  Access not within mapped region at address 0x4
==4525==    at 0xB93AFB: __mc_moves_MOD_change_bond_length (mc_moves.F:1434)
==4525==    by 0xB9C478: __mc_moves_MOD_mc_conformation_change (mc_moves.F:273)
==4525==    by 0xB68830: __mc_ensembles_MOD_mc_run_ensemble
(mc_ensembles.F:754)
==4525==    by 0xBA4623: __mc_run_MOD_do_mon_car (mc_run.F:328)
==4525==    by 0x562C3F: __cp2k_runs_MOD_cp2k_run (cp2k_runs.F:335)
==4525==    by 0x565B36: __cp2k_runs_MOD_run_input (cp2k_runs.F:1079)
==4525==    by 0x1456510: MAIN__ (cp2k.F:272)
==4525==    by 0x14575E9: main (fmain.c:21)


-- 


http://gcc.gnu.org/bugzilla/show_bug.cgi?id=38431

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