[Molds-dev] [molds] #29765: abort by using a input file constructed from arbitrary characters

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SourceForge Ticket System norep****@sourc*****
2012年 10月 6日 (土) 18:16:38 JST


#29765: abort by using a input file constructed from arbitrary characters

  Open Date: 2012-10-06 18:16
Last Update: 2012-10-06 18:16

URL for this Ticket:
    http://sourceforge.jp/ticket/browse.php?group_id=6231&tid=29765
RSS feed for this Ticket:
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Last Changes/Comment for this Ticket:
2012-10-06 18:16 Update by: okymmolds

 * New Ticket "abort by using a input file constructed from arbitrary characters" created

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Ticket Status:

      Reporter: okymmolds
         Owner: (未割り当て)
          Type: バグ
        Status: オープン
      Priority: 5 - 中
     MileStone: (未割り当て)
     Component: (未割り当て)
      Severity: 5 - 中
    Resolution: なし
---------------------------------------------------------------------

Ticket details:

When MolDS.out is executed with a input file of which the contents are constructed from arbitrary characters (For example aa), 
the process aborts with the following messages: 


     >>>>>  Welcome to the MolDS world at 2012/10/6(Sat.) 18:3:26  <<<<<


**********  START: Parse input  **********
	Total number of atoms: 0
	Total number of valence AOs: 0
	Total number of valence electrons: 0

				| i-th | atom type |   x[a.u.]   |   y[a.u.]   |   z[a.u.]   |		|  x[angst.]  |  y[angst.]  |  z[angst.]  |

			|   x[a.u.]   |   y[a.u.]   |   z[a.u.]   |		|  x[angst.]  |  y[angst.]  |  z[angst.]  |
	Center of Mass:	-nan	-nan	-nan		-nan	-nan	-nan

			|   x[a.u.]   |   y[a.u.]   |   z[a.u.]   |		|  x[angst.]  |  y[angst.]  |  z[angst.]  |
	Center of Core:	-nan	-nan	-nan		-nan	-nan	-nan

	SCF conditions:
		Max iterations: 100
		RMS density: 1.000000e-08
		Damping threshold: 1.000000e+00
		Damping weight: 8.000000e-01
		DIIS number of error vectors: 5
		DIIS starting error: 1.000000e-02
		DIIS ending error: 1.000000e-08
		van der Waals (vdW) correction: no

	Memory conditions:
		Heap limit: 2.560000e+02[MB]

Input terms:
aa | 

**********  DONE: Parse input  ***********


**********  START: CNDO/2-SCF  **********
*** glibc detected *** ./MolDS.out: free(): invalid pointer: 0x00007fcf33737e98 ***
======= Backtrace: =========
/lib/libc.so.6(+0x77806)[0x7fcf33430806]
/lib/libc.so.6(cfree+0x73)[0x7fcf334370d3]
./MolDS.out[0x436ddf]
./MolDS.out[0x4a6f82]
./MolDS.out[0x471c4f]
./MolDS.out[0x530fbf]
./MolDS.out[0x530aea]
./MolDS.out[0x406464]
/lib/libc.so.6(__libc_start_main+0xfd)[0x7fcf333d7c4d]
./MolDS.out[0x405b69]
======= Memory map: ========
00400000-005dd000 r-xp 00000000 08:01 403396                             /home/okuyama/work/molds/trunk/src/MolDS.out
007dd000-007eb000 rw-p 001dd000 08:01 403396                             /home/okuyama/work/molds/trunk/src/MolDS.out
0212d000-0214e000 rw-p 00000000 00:00 0                                  [heap]
7fcf2c000000-7fcf2c021000 rw-p 00000000 00:00 0 
7fcf2c021000-7fcf30000000 ---p 00000000 00:00 0 
7fcf32fb5000-7fcf331b5000 rw-p 00000000 00:00 0 
7fcf331b5000-7fcf331b7000 r-xp 00000000 08:01 2103275                    /lib/libdl-2.11.1.so
7fcf331b7000-7fcf333b7000 ---p 00002000 08:01 2103275                    /lib/libdl-2.11.1.so
7fcf333b7000-7fcf333b8000 r--p 00002000 08:01 2103275                    /lib/libdl-2.11.1.so
7fcf333b8000-7fcf333b9000 rw-p 00003000 08:01 2103275                    /lib/libdl-2.11.1.so
7fcf333b9000-7fcf33533000 r-xp 00000000 08:01 2103271                    /lib/libc-2.11.1.so
7fcf33533000-7fcf33732000 ---p 0017a000 08:01 2103271                    /lib/libc-2.11.1.so
7fcf33732000-7fcf33736000 r--p 00179000 08:01 2103271                    /lib/libc-2.11.1.so
7fcf33736000-7fcf33737000 rw-p 0017d000 08:01 2103271                    /lib/libc-2.11.1.so
7fcf33737000-7fcf3373c000 rw-p 00000000 00:00 0 
7fcf3373c000-7fcf33752000 r-xp 00000000 08:01 2097392                    /lib/libgcc_s.so.1
7fcf33752000-7fcf33951000 ---p 00016000 08:01 2097392                    /lib/libgcc_s.so.1
7fcf33951000-7fcf33952000 r--p 00015000 08:01 2097392                    /lib/libgcc_s.so.1
7fcf33952000-7fcf33953000 rw-p 00016000 08:01 2097392                    /lib/libgcc_s.so.1
7fcf33953000-7fcf33a49000 r-xp 00000000 08:01 1311740                    /usr/lib/libstdc++.so.6.0.13
7fcf33a49000-7fcf33c49000 ---p 000f6000 08:01 1311740                    /usr/lib/libstdc++.so.6.0.13
7fcf33c49000-7fcf33c50000 r--p 000f6000 08:01 1311740                    /usr/lib/libstdc++.so.6.0.13
7fcf33c50000-7fcf33c52000 rw-p 000fd000 08:01 1311740                    /usr/lib/libstdc++.so.6.0.13
7fcf33c52000-7fcf33c67000 rw-p 00000000 00:00 0 
7fcf33c67000-7fcf33ce9000 r-xp 00000000 08:01 2103254                    /lib/libm-2.11.1.so
7fcf33ce9000-7fcf33ee8000 ---p 00082000 08:01 2103254                    /lib/libm-2.11.1.so
7fcf33ee8000-7fcf33ee9000 r--p 00081000 08:01 2103254                    /lib/libm-2.11.1.so
7fcf33ee9000-7fcf33eea000 rw-p 00082000 08:01 2103254                    /lib/libm-2.11.1.so
7fcf33eea000-7fcf33f02000 r-xp 00000000 08:01 2103269                    /lib/libpthread-2.11.1.so
7fcf33f02000-7fcf34101000 ---p 00018000 08:01 2103269                    /lib/libpthread-2.11.1.so
7fcf34101000-7fcf34102000 r--p 00017000 08:01 2103269                    /lib/libpthread-2.11.1.so
7fcf34102000-7fcf34103000 rw-p 00018000 08:01 2103269                    /lib/libpthread-2.11.1.so
7fcf34103000-7fcf34107000 rw-p 00000000 00:00 0 
7fcf34107000-7fcf341d3000 r-xp 00000000 08:01 4195560                    /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so
7fcf341d3000-7fcf343d2000 ---p 000cc000 08:01 4195560                    /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so
7fcf343d2000-7fcf343dc000 rw-p 000cb000 08:01 4195560                    /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so
7fcf343dc000-7fcf343f3000 rw-p 00000000 00:00 0 
7fcf343f3000-7fcf3520a000 r-xp 00000000 08:01 4334060                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
7fcf3520a000-7fcf35409000 ---p 00e17000 08:01 4334060                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
7fcf35409000-7fcf3541d000 rw-p 00e16000 08:01 4334060                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
7fcf3541d000-7fcf3542d000 rw-p 00000000 00:00 0 
7fcf3542d000-7fcf36125000 r-xp 00000000 08:01 4335992                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so
7fcf36125000-7fcf36324000 ---p 00cf8000 08:01 4335992                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so
7fcf36324000-7fcf3647c000 rw-p 00cf7000 08:01 4335992                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so
7fcf3647c000-7fcf3647f000 rw-p 00000000 00:00 0 
7fcf3647f000-7fcf36a0d000 r-xp 00000000 08:01 4335984                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so
7fcf36a0d000-7fcf36c0d000 ---p 0058e000 08:01 4335984                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so
7fcf36c0d000-7fcf36c1b000 rw-p 0058e000 08:01 4335984                    /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so
7fcf36c1b000-7fcf36c20000 rw-p 00000000 00:00 0 
7fcf36c20000-7fcf36c40000 r-xp 00000000 08:01 2103256                    /lib/ld-2.11.1.soアボートしました


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