[Wien] Error in dstart and scf

Bahram Abedi abedi526 at gmail.com
Mon May 18 00:41:14 CEST 2009


Dear Wien2k users,
May somebody please tell me what the reason for the following errors is?
My case.struct is a compound of  Fe, Mg, and O with space group 123-P4/mmm.

1.	Error in executing “dstart”:
       'DSTART' - can't open unit: 15
    'DSTART' -        filename: Fe-MgO_b6.in2c
 'DSTART' -          status: old          form: formatted


2.	Error at the beginning of the scf:
  [b1 at localhost Fe-MgO_b5]$ runsp_lapw
 LAPW0 END
*** glibc detected *** /usr/local/wien2k8/lapw1: double free or
corruption (!prev): 0x00000000010f3050 ***
======= Backtrace: =========
/lib64/libc.so.6[0x3cb2872832]
/lib64/libc.so.6(cfree+0x8c)[0x3cb2875f2c]
/usr/local/wien2k8/lapw1[0x9e4f59]
/usr/local/wien2k8/lapw1[0x4657d2]
/usr/local/wien2k8/lapw1[0x416099]
/usr/local/wien2k8/lapw1[0x4426b7]
/usr/local/wien2k8/lapw1(realloc+0x1ba)[0x40b982]
/lib64/libc.so.6(__libc_start_main+0xf4)[0x3cb281e074]
/usr/local/wien2k8/lapw1(realloc+0xe1)[0x40b8a9]
======= Memory map: ========
00400000-00ae2000 r-xp 00000000 08:09 9995704
  /usr/local/wien2k8/lapw1
00ce2000-00cff000 rwxp 006e2000 08:09 9995704
  /usr/local/wien2k8/lapw1
00cff000-01f1b000 rwxp 00cff000 00:00 0                                  [heap]
40000000-40001000 ---p 40000000 00:00 0
40001000-40011000 rwxp 40001000 00:00 0
...
3cb1600000-3cb161b000 r-xp 00000000 08:09 5668869
  /lib64/ld-2.7.so
3cb181a000-3cb181b000 r-xp 0001a000 08:09 5668869
...
3cb2e82000-3cb2e83000 rwxp 00082000 08:09 5668876
  /lib64/libm-2.7.so
/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
2aaaaaaad000-2aaaaab14000 r-xp 00000000 08:09 9865643
  /opt/intel/mkl/10.0.3.020/lib/em64t/libguide.so
2aaaaab14000-2aaaaac14000 ---p 00067000 08:09 9865643
  /opt/intel/mkl/10.0.3.020/lib/em64t/libguide.so
...
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0                  [vdso]

>   stop error


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