[Wien] Error message during scf calculation

Gavin Abo gsabo at crimson.ua.edu
Tue Mar 24 23:00:29 CET 2015 

This might be due to the blocksize bug.  The blocksize bug can be fixed 
by using the current 2014 version of WIEN2k, which is 14.2.

On 3/24/2015 7:39 AM, farouk boutaiba wrote:
> Dear members
> After compilation of wien2k 2010,  i tried to run SCF cycle with 
> binary GaAs compound. But it doesn't work. I got the following this error:
>
> *** Error in `/root/wien2k/lapw1c': free(): corrupted unsorted chunks: 
> 0x0000000000b2a280 ***
>
> *** Error in `/root/wien2k/lapw1c': malloc(): memory corruption: 
> 0x00000000014705f0 ***
>
>
> however, if i tried to make calculation of ternary compound like 
> GaMnAs with 3 atoms of Ga, one of Mn and four of As, the error change to:
>
>
> *** Error in `/root/wien2k/lapw1c': free(): invalid next size (fast): 
> 0x00000000023705e0 *** ======= Backtrace: ========= 
> /lib64/libc.so.6(+0x7abf6)[0x2b3fe26bdbf6] 
> /lib64/libc.so.6(+0x7b973)[0x2b3fe26be973] 
> /root/wien2k/lapw1c[0x4a4a4c] /root/wien2k/lapw1c[0x42378f] 
> /root/wien2k/lapw1c[0x40e47b] /root/wien2k/lapw1c[0x43ed3d] 
> /root/wien2k/lapw1c[0x404dac] 
> /lib64/libc.so.6(__libc_start_main+0xf5)[0x2b3fe2664a15] 
> /root/wien2k/lapw1c[0x404ca9] ======= Memory map: ======== 
> 00400000-0058b000 r-xp 00000000 08:05 416089 /root/wien2k/lapw1c 
> 0078a000-0078f000 r--p 0018a000 08:05 416089 /root/wien2k/lapw1c 
> 0078f000-00797000 rw-p 0018f000 08:05 416089 /root/wien2k/lapw1c 
> 00797000-009f6000 rw-p 00000000 00:00 0 02173000-027cf000 rw-p 
> 00000000 00:00 0 [heap] 2b3fdfcff000-2b3fdfd20000 r-xp 00000000 08:05 
> 262691 /lib64/ld-2.17.so 2b3fdfd20000-2b3fdfd21000 rw-p 00000000 00:00 
> 0 2b3fdff20000-2b3fdff21000 r--p 00021000 08:05 262691 
> /lib64/ld-2.17.so 2b3fdff21000-2b3fdff22000 rw-p 00022000 08:05 262691 
> /lib64/ld-2.17.so 2b3fdff22000-2b3fdff23000 rw-p 00000000 00:00 0 
> 2b3fdff23000-2b3fe045e000 r-xp 00000000 08:05 405349 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_intel_lp64.so 
> 2b3fe045e000-2b3fe065d000 ---p 0053b000 08:05 405349 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_intel_lp64.so 
> 2b3fe065d000-2b3fe066a000 rw-p 0053a000 08:05 405349 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_intel_lp64.so 
> 2b3fe066a000-2b3fe0670000 rw-p 00000000 00:00 0 
> 2b3fe0670000-2b3fe0b04000 r-xp 00000000 08:05 405359 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_sequential.so 
> 2b3fe0b04000-2b3fe0d03000 ---p 00494000 08:05 405359 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_sequential.so 
> 2b3fe0d03000-2b3fe0d0f000 rw-p 00493000 08:05 405359 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_sequential.so 
> 2b3fe0d0f000-2b3fe1cad000 r-xp 00000000 08:05 405343 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_core.so 
> 2b3fe1cad000-2b3fe1eac000 ---p 00f9e000 08:05 405343 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_core.so 
> 2b3fe1eac000-2b3fe1ef0000 rw-p 00f9d000 08:05 405343 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_core.so 
> 2b3fe1ef0000-2b3fe1f0a000 rw-p 00000000 00:00 0 
> 2b3fe1f24000-2b3fe2021000 r-xp 00000000 08:05 262707 
> /lib64/libm-2.17.so 2b3fe2021000-2b3fe2220000 ---p 000fd000 08:05 
> 262707 /lib64/libm-2.17.so 2b3fe2220000-2b3fe2221000 r--p 000fc000 
> 08:05 262707 /lib64/libm-2.17.so 2b3fe2221000-2b3fe2222000 rw-p 
> 000fd000 08:05 262707 /lib64/libm-2.17.so 2b3fe2222000-2b3fe2223000 
> rw-p 00000000 00:00 0 2b3fe2223000-2b3fe223a000 r-xp 00000000 08:05 
> 262676 /lib64/libpthread-2.17.so 2b3fe223a000-2b3fe2439000 ---p 
> 00017000 08:05 262676 /lib64/libpthread-2.17.so 
> 2b3fe2439000-2b3fe243a000 r--p 00016000 08:05 262676 
> /lib64/libpthread-2.17.so 2b3fe243a000-2b3fe243b000 rw-p 00017000 
> 08:05 262676 /lib64/libpthread-2.17.so 2b3fe243b000-2b3fe243f000 rw-p 
> 00000000 00:00 0 2b3fe243f000-2b3fe2442000 r-xp 00000000 08:05 262708 
> /lib64/libdl-2.17.so 2b3fe2442000-2b3fe2641000 ---p 00003000 08:05 
> 262708 /lib64/libdl-2.17.so 2b3fe2641000-2b3fe2642000 r--p 00002000 
> 08:05 262708 /lib64/libdl-2.17.so 2b3fe2642000-2b3fe2643000 rw-p 
> 00003000 08:05 262708 /lib64/libdl-2.17.so 2b3fe2643000-2b3fe27e6000 
> r-xp 00000000 08:05 262685 /lib64/libc-2.17.so 
> 2b3fe27e6000-2b3fe29e6000 ---p 001a3000 08:05 262685 
> /lib64/libc-2.17.so 2b3fe29e6000-2b3fe29ea000 r--p 001a3000 08:05 
> 262685 /lib64/libc-2.17.so 2b3fe29ea000-2b3fe29ec000 rw-p 001a7000 
> 08:05 262685 /lib64/libc-2.17.so 2b3fe29ec000-2b3fe29f1000 rw-p 
> 00000000 00:00 0 2b3fe29f1000-2b3fe2a06000 r-xp 00000000 08:05 262671 
> /lib64/libgcc_s.so.1 2b3fe2a06000-2b3fe2c05000 ---p 00015000 08:05 
> 262671 /lib64/libgcc_s.so.1 2b3fe2c05000-2b3fe2c06000 r--p 00014000 
> 08:05 262671 /lib64/libgcc_s.so.1 2b3fe2c06000-2b3fe2c07000 rw-p 
> 00015000 08:05 262671 /lib64/libgcc_s.so.1 2b3fe2c07000-2b3fe2c09000 
> rw-p 00000000 00:00 0 2b3fe2c09000-2b3fe367d000 r-xp 00000000 08:05 
> 405361 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_vml_avx2.so 
> 2b3fe367d000-2b3fe387d000 ---p 00a74000 08:05 405361 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_vml_avx2.so 
> 2b3fe387d000-2b3fe3895000 rw-p 00a74000 08:05 405361 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_vml_avx2.so 
> 2b3fe3895000-2b3fe39a6000 rw-p 00000000 00:00 0 
> 2b3fe3bc6000-2b3fe58db000 r-xp 00000000 08:05 405339 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_avx2.so 
> 2b3fe58db000-2b3fe5ada000 ---p 01d15000 08:05 405339 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_avx2.so 
> 2b3fe5ada000-2b3fe5aee000 rw-p 01d14000 08:05 405339 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_avx2.so 
> 7fff419b3000-7fff419d5000 rw-p 00000000 00:00 0 [stack] 
> 7fff419ff000-7fff41a00000 r-xp 00000000 00:00 0 [vdso] 
> ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0 [vsyscall] > 
> stop error
>
>
> Thank you for your help.
>
> BOUTAIBA Farouk
> Department of Physics
> Faculty of Science
> University of Science and Technology of Oran
> P.O.Box: 1505 El M'Naouer
> 31000 Oran
> Algeria
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