[Wien] error in lapw1

[Bahram Abedi]

Dear Prof. Blaha and wien users,
I did "userconfig_lapw" again, but it did not solve the problem.

Thank you for your reply.




On 5/19/09, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:
> Have you done   userconfig_lapw ?? This sets your  "limits"  to unlimited.
>
> Bahram Abedi schrieb:
>> Dear wien users,
>> I'm Using Wien2k (2008) on intel Q6600. For simple cases (one or two
>> atom each cell) it runs very well, but for larger cases it issues the
>> following error at the beging of the scf. Can anyone please help me
>> about the problem?
>>
>> I appreciate any help,
>> Bahram Abedi
>>
>>
>>
>>
>> b1 at localhost Fe_p1]$ runsp_lapw
>>  LAPW0 END
>> *** glibc detected *** /usr/local/wien2k8/lapw1: free(): invalid next
>> size (normal): 0x00000000010db9f0 ***
>> ======= Backtrace: =========
>> /lib64/libc.so.6[0x3cb2872832]
>> /lib64/libc.so.6(cfree+0x8c)[0x3cb2875f2c]
>> /usr/local/wien2k8/lapw1[0x9cccd1]
>> /usr/local/wien2k8/lapw1[0x465452]
>> /usr/local/wien2k8/lapw1[0x415d19]
>> /usr/local/wien2k8/lapw1[0x442337]
>> /usr/local/wien2k8/lapw1(realloc+0x1d2)[0x40b602]
>> /lib64/libc.so.6(__libc_start_main+0xf4)[0x3cb281e074]
>> /usr/local/wien2k8/lapw1(realloc+0xf9)[0x40b529]
>> ======= Memory map: ========
>> 00400000-00ac8000 r-xp 00000000 08:09 9995704
>>   /usr/local/wien2k8/lapw1
>> 00cc8000-00ce5000 rwxp 006c8000 08:09 9995704
>>   /usr/local/wien2k8/lapw1
>> 00ce5000-01a72000 rwxp 00ce5000 00:00 0
>> [heap]
>> 40000000-40001000 ---p 40000000 00:00 0
>> 40001000-40011000 rwxp 40001000 00:00 0
>> 40011000-40012000 ---p 40011000 00:00 0
>> 40012000-4040a000 rwxp 40012000 00:00 0
>> 4040a000-4040b000 ---p 4040a000 00:00 0
>> 4040b000-40803000 rwxp 4040b000 00:00 0
>> 40803000-40804000 ---p 40803000 00:00 0
>> 40804000-40bfc000 rwxp 40804000 00:00 0
>> 3cb1600000-3cb161b000 r-xp 00000000 08:09 5668869
>>   /lib64/ld-2.7.so
>> 3cb181a000-3cb181b000 r-xp 0001a000 08:09 5668869
>>   /lib64/ld-2.7.so
>> 3cb181b000-3cb181c000 rwxp 0001b000 08:09 5668869
>>   /lib64/ld-2.7.so
>> 3cb2800000-3cb294d000 r-xp 00000000 08:09 5668871
>>   /lib64/libc-2.7.so
>> 3cb294d000-3cb2b4d000 ---p 0014d000 08:09 5668871
>>   /lib64/libc-2.7.so
>> 3cb2b4d000-3cb2b51000 r-xp 0014d000 08:09 5668871
>>   /lib64/libc-2.7.so
>> 3cb2b51000-3cb2b52000 rwxp 00151000 08:09 5668871
>>   /lib64/libc-2.7.so
>> 3cb2b52000-3cb2b57000 rwxp 3cb2b52000 00:00 0
>> 3cb2c00000-3cb2c82000 r-xp 00000000 08:09 5668876
>>   /lib64/libm-2.7.so
>> 3cb2c82000-3cb2e81000 ---p 00082000 08:09 5668876
>>   /lib64/libm-2.7.so
>> 3cb2e81000-3cb2e82000 r-xp 00081000 08:09 5668876
>>   /lib64/libm-2.7.so
>> 3cb2e82000-3cb2e83000 rwxp 00082000 08:09 5668876
>>   /lib64/libm-2.7.so
>> 3cb3000000-3cb3002000 r-xp 00000000 08:09 5668878
>>   /lib64/libdl-2.7.so
>> 3cb3002000-3cb3202000 ---p 00002000 08:09 5668878
>>   /lib64/libdl-2.7.so
>> 3cb3202000-3cb3203000 r-xp 00002000 08:09 5668878
>>   /lib64/libdl-2.7.so
>> 3cb3203000-3cb3204000 rwxp 00003000 08:09 5668878
>>   /lib64/libdl-2.7.so
>> 3cb3400000-3cb3416000 r-xp 00000000 08:09 5668882
>>   /lib64/libpthread-2.7.so
>> 3cb3416000-3cb3615000 ---p 00016000 08:09 5668882
>>   /lib64/libpthread-2.7.so
>> 3cb3615000-3cb3616000 r-xp 00015000 08:09 5668882
>>   /lib64/libpthread-2.7.so
>> 3cb3616000-3cb3617000 rwxp 00016000 08:09 5668882
>>   /lib64/libpthread-2.7.so
>> 3cb3617000-3cb361b000 rwxp 3cb3617000 00:00 0
>> 3cb8000000-3cb800d000 r-xp 00000000 08:09 5668884
>>   /lib64/libgcc_s-4.1.2-20070925.so.1
>> 3cb800d000-3cb820d000 ---p 0000d000 08:09 5668884
>>   /lib64/libgcc_s-4.1.2-20070925.so.1
>> 3cb820d000-3cb820e000 rwxp 0000d000 08:09 5668884
>>   /lib64/libgcc_s-4.1.2-20070925.so.1
>> 2aaaaaaab000-2aaaaaaad000 rwxp 2aaaaaaab000 00:00 0
>> 2aaaaaaad000-2aaaaab0a000 r-xp 00000000 08:09 9475961
>>   /opt/intel/mkl/10.0.2.018/lib/em64t/libguide.so
>> 2aaaaab0a000-2aaaaac09000 ---p 0005d000 08:09 9475961
>>   /opt/intel/mkl/10.0.2.018/lib/em64t/libguide.so
>> 2aaaaac09000-2aaaaac0e000 rwxp 0005c000 08:09 9475961
>>   /opt/intel/mkl/10.0.2.018/lib/em64t/libguide.so
>> 2aaaaac0e000-2aaaaac14000 rwxp 2aaaaac0e000 00:00 0
>> 2aaaaac47000-2aaaaac4a000 rwxp 2aaaaac47000 00:00 0
>> 2aaaaad19000-2aaaab72c000 rwxp 2aaaaad19000 00:00 0
>> 2aaaac000000-2aaaac321000 rwxp 2aaaac000000 00:00 0
>> 2aaaac321000-2aaab0000000 ---p 2aaaac321000 00:00 0
>> 2aaab0000000-2aaab02b5000 rwxp 2aaab0000000 00:00 0
>>>   stop error
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>
> --
>
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
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> http://info.tuwien.ac.at/theochem/
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