[Wien] error in lapw1

[Peter Blaha]

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
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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