[Wien] Error message during scf calculation

[farouk boutaiba]

Dear membersAfter compilation of wien2k2010,  i tried to run SCF cycle with binary GaAs compound. But itdoesn'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 makecalculation 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: ======== 00400000-0058b000r-xp 00000000 08:05 416089 /root/wien2k/lapw1c 0078a000-0078f000 r--p 0018a00008:05 416089 /root/wien2k/lapw1c 0078f000-00797000 rw-p 0018f000 08:05 416089/root/wien2k/lapw1c 00797000-009f6000 rw-p 00000000 00:00 0 02173000-027cf000rw-p 00000000 00:00 0 [heap] 2b3fdfcff000-2b3fdfd20000 r-xp 00000000 08:05262691 /lib64/ld-2.17.so 2b3fdfd20000-2b3fdfd21000 rw-p 00000000 00:00 02b3fdff20000-2b3fdff21000 r--p 00021000 08:05 262691 /lib64/ld-2.17.so2b3fdff21000-2b3fdff22000 rw-p 00022000 08:05 262691 /lib64/ld-2.17.so2b3fdff22000-2b3fdff23000 rw-p 00000000 00:00 0 2b3fdff23000-2b3fe045e000 r-xp00000000 08:05 405349/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_intel_lp64.so2b3fe045e000-2b3fe065d000 ---p 0053b000 08:05 405349/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_intel_lp64.so2b3fe065d000-2b3fe066a000 rw-p 0053a000 08:05 405349/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_intel_lp64.so2b3fe066a000-2b3fe0670000 rw-p 00000000 00:00 0 2b3fe0670000-2b3fe0b04000 r-xp00000000 08:05 405359/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_sequential.so2b3fe0b04000-2b3fe0d03000 ---p 00494000 08:05 405359/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_sequential.so2b3fe0d03000-2b3fe0d0f000 rw-p 00493000 08:05 405359/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_sequential.so2b3fe0d0f000-2b3fe1cad000 r-xp 00000000 08:05 405343/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_core.so2b3fe1cad000-2b3fe1eac000 ---p 00f9e000 08:05 405343/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_core.so2b3fe1eac000-2b3fe1ef0000 rw-p 00f9d000 08:05 405343/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_core.so2b3fe1ef0000-2b3fe1f0a000 rw-p 00000000 00:00 0 2b3fe1f24000-2b3fe2021000 r-xp00000000 08:05 262707 /lib64/libm-2.17.so 2b3fe2021000-2b3fe2220000 ---p000fd000 08:05 262707 /lib64/libm-2.17.so 2b3fe2220000-2b3fe2221000 r--p000fc000 08:05 262707 /lib64/libm-2.17.so 2b3fe2221000-2b3fe2222000 rw-p000fd000 08:05 262707 /lib64/libm-2.17.so 2b3fe2222000-2b3fe2223000 rw-p00000000 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 02b3fe243f000-2b3fe2442000 r-xp 00000000 08:05 262708 /lib64/libdl-2.17.so2b3fe2442000-2b3fe2641000 ---p 00003000 08:05 262708 /lib64/libdl-2.17.so2b3fe2641000-2b3fe2642000 r--p 00002000 08:05 262708 /lib64/libdl-2.17.so2b3fe2642000-2b3fe2643000 rw-p 00003000 08:05 262708 /lib64/libdl-2.17.so2b3fe2643000-2b3fe27e6000 r-xp 00000000 08:05 262685 /lib64/libc-2.17.so2b3fe27e6000-2b3fe29e6000 ---p 001a3000 08:05 262685 /lib64/libc-2.17.so2b3fe29e6000-2b3fe29ea000 r--p 001a3000 08:05 262685 /lib64/libc-2.17.so 2b3fe29ea000-2b3fe29ec000rw-p 001a7000 08:05 262685 /lib64/libc-2.17.so 2b3fe29ec000-2b3fe29f1000 rw-p00000000 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 02b3fe2c09000-2b3fe367d000 r-xp 00000000 08:05 405361 /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_vml_avx2.so2b3fe367d000-2b3fe387d000 ---p 00a74000 08:05 405361/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_vml_avx2.so2b3fe387d000-2b3fe3895000 rw-p 00a74000 08:05 405361 /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_vml_avx2.so2b3fe3895000-2b3fe39a6000 rw-p 00000000 00:00 0 2b3fe3bc6000-2b3fe58db000 r-xp00000000 08:05 405339/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_avx2.so2b3fe58db000-2b3fe5ada000 ---p 01d15000 08:05 405339/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_avx2.so2b3fe5ada000-2b3fe5aee000 rw-p 01d14000 08:05 405339/opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_avx2.so7fff419b3000-7fff419d5000 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] > stoperror 





Thank you for your help.
BOUTAIBA Farouk

Department of Physics

Faculty of Science

University of Science andTechnology of Oran

P.O.Box: 1505 El M'Naouer

31000 Oran

Algeria


 

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