[Wien] Error at lapw1 cycle

EGUCHI Gaku geguchi at scphys.kyoto-u.ac.jp
Tue Nov 29 06:40:07 CET 2011 

Dear Dr. Maxim Rakitin,

Thanks for your reply. But it seems that the download page was already 
removed.

Best regards,
Gaku Eguchi

(11/11/29 4:08), Maxim Rakitin wrote:
> Please see my comment there about how to find it: 
> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015688.html.
>
> Maxim
>
> 28.11.2011 22:02, EGUCHI Gaku пишет:
>> Dr. Laurence Marks,
>>
>> Thanks a lot for your quick reply. I checked the mail readily but it 
>> seems a
>> different problem, because I could run w2web and went through to 
>> `Struct-
>> Gen' and `initialize calc.' without any problem. I also ran 
>> `./siteconfig' but
>> couldn't find `-O3' option.
>>
>> Yeah it's the problem of memory, but it looks difficult for me to 
>> deal imme-
>> diately.
>> I'd like to re-install the Composer XE 2011 Update 3, but I don't 
>> know how
>> to find it in the current situation. If someone knows how to obtain 
>> it, could
>> you tell me?
>>
>> Best,
>> Gaku Eguchi
>>
>> (11/11/29 0:00), Laurence Marks wrote:
>>> You will see from the mailing list (e.g.
>>> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015651.html 
>>>
>>> ) that there is an issue with some of the recent versions of ifort,
>>> and by the looks of it the version you are using won't work.
>>>
>>> One comment. if you do a google search on "free(): invalid next size"
>>> you will see that this is a memory problem.
>>>
>>> 2011/11/28 EGUCHI Gaku<geguchi at scphys.kyoto-u.ac.jp>:
>>>> Hello All,
>>>>
>>>> Recently I reinstalled WIEN2k_v11 with the latest ifort and icc
>>>> (composer_xe_2011_sp1.7.256), or the ifort and gcc to Ubuntu 11.04,
>>>> and consequently I've fallen into suffering from the following error
>>>> at the SRC run. Is this also the problem for the compiler, which is
>>>> difficult to deal with for the beginner?
>>>>
>>>> The installation has done without any problem. I executed everything
>>>> in bash and the setting by userconfig_lapw is done to .bashrc.
>>>>
>>>> I'm happy if I could keep using ifort because of the simplicity of the
>>>> installation.
>>>>
>>>> Best,
>>>> Gaku Eguchi
>>>>
>>>> -----------
>>>> LAPW0 END
>>>> *** glibc detected *** /home/parallels/Downloads/wien2k_v11/lapw1c: 
>>>> free():
>>>> invalid next size (normal): 0x00000000024e8f40 ***
>>>> ======= Backtrace: =========
>>>> /lib/x86_64-linux-gnu/libc.so.6(+0x78a8f)[0x2b5847c4aa8f]
>>>> /lib/x86_64-linux-gnu/libc.so.6(cfree+0x73)[0x2b5847c4e8e3]
>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x4a8d0c]
>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x465a9a]
>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x40e828]
>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x442bf3]
>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x404ccc]
>>>> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xff)[0x2b5847bf0eff] 
>>>>
>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x404bc9]
>>>> ======= Memory map: ========
>>>> 00400000-005a6000 r-xp 00000000 08:01 1580323
>>>> /home/parallels/Downloads/wien2k_v11/lapw1c
>>>> 007a5000-007b4000 rw-p 001a5000 08:01 1580323
>>>> /home/parallels/Downloads/wien2k_v11/lapw1c
>>>> 007b4000-00a3d000 rw-p 00000000 00:00 0
>>>> 0221c000-033ae000 rw-p 00000000 00:00 0
>>>> [heap]
>>>> 2b58447dd000-2b58447fe000 r-xp 00000000 08:01 3673832
>>>> /lib/x86_64-linux-gnu/ld-2.13.so
>>>> 2b58447fe000-2b5844800000 rw-p 00000000 00:00 0
>>>> 2b58449fd000-2b58449fe000 r--p 00020000 08:01 3673832
>>>> /lib/x86_64-linux-gnu/ld-2.13.so
>>>> 2b58449fe000-2b5844a00000 rw-p 00021000 08:01 3673832
>>>> /lib/x86_64-linux-gnu/ld-2.13.so
>>>> 2b5844a00000-2b5844f8e000 r-xp 00000000 08:01 797568
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 
>>>>
>>>> 2b5844f8e000-2b584518e000 ---p 0058e000 08:01 797568
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 
>>>>
>>>> 2b584518e000-2b584519c000 rw-p 0058e000 08:01 797568
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 
>>>>
>>>> 2b584519c000-2b58451a2000 rw-p 00000000 00:00 0
>>>> 2b58451a2000-2b5845e9a000 r-xp 00000000 08:01 797580
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 
>>>>
>>>> 2b5845e9a000-2b5846099000 ---p 00cf8000 08:01 797580
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 
>>>>
>>>> 2b5846099000-2b58461f1000 rw-p 00cf7000 08:01 797580
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 
>>>>
>>>> 2b58461f1000-2b58461f4000 rw-p 00000000 00:00 0
>>>> 2b58461f4000-2b584700b000 r-xp 00000000 08:01 795641
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
>>>> 2b584700b000-2b584720a000 ---p 00e17000 08:01 795641
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
>>>> 2b584720a000-2b584721e000 rw-p 00e16000 08:01 795641
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
>>>> 2b584721e000-2b584722e000 rw-p 00000000 00:00 0
>>>> 2b584723d000-2b5847255000 r-xp 00000000 08:01 3673910
>>>> /lib/x86_64-linux-gnu/libpthread-2.13.so
>>>> 2b5847255000-2b5847455000 ---p 00018000 08:01 3673910
>>>> /lib/x86_64-linux-gnu/libpthread-2.13.so
>>>> 2b5847455000-2b5847456000 r--p 00018000 08:01 3673910
>>>> /lib/x86_64-linux-gnu/libpthread-2.13.so
>>>> 2b5847456000-2b5847457000 rw-p 00019000 08:01 3673910
>>>> /lib/x86_64-linux-gnu/libpthread-2.13.so
>>>> 2b5847457000-2b584745c000 rw-p 00000000 00:00 0
>>>> 2b584745c000-2b58474e0000 r-xp 00000000 08:01 3673882
>>>> /lib/x86_64-linux-gnu/libm-2.13.so
>>>> 2b58474e0000-2b58476df000 ---p 00084000 08:01 3673882
>>>> /lib/x86_64-linux-gnu/libm-2.13.so
>>>> 2b58476df000-2b58476e0000 r--p 00083000 08:01 3673882
>>>> /lib/x86_64-linux-gnu/libm-2.13.so
>>>> 2b58476e0000-2b58476e1000 rw-p 00084000 08:01 3673882
>>>> /lib/x86_64-linux-gnu/libm-2.13.so
>>>> 2b58476e1000-2b58477ad000 r-xp 00000000 08:01 786493
>>>> /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so
>>>> 2b58477ad000-2b58479ac000 ---p 000cc000 08:01 786493
>>>> /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so
>>>> 2b58479ac000-2b58479b6000 rw-p 000cb000 08:01 786493
>>>> /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so
>>>> 2b58479b6000-2b58479cd000 rw-p 00000000 00:00 0
>>>> 2b58479cd000-2b58479cf000 r-xp 00000000 08:01 3673855
>>>> /lib/x86_64-linux-gnu/libdl-2.13.so
>>>> 2b58479cf000-2b5847bcf000 ---p 00002000 08:01 3673855
>>>> /lib/x86_64-linux-gnu/libdl-2.13.so
>>>> 2b5847bcf000-2b5847bd0000 r--p 00002000 08:01 3673855
>>>> /lib/x86_64-linux-gnu/libdl-2.13.so
>>>> 2b5847bd0000-2b5847bd1000 rw-p 00003000 08:01 3673855
>>>> /lib/x86_64-linux-gnu/libdl-2.13.so
>>>> 2b5847bd1000-2b5847bd2000 rw-p 00000000 00:00 0
>>>> 2b5847bd2000-2b5847d5c000 r-xp 00000000 08:01 3673845
>>>> /lib/x86_64-linux-gnu/libc-2.13.so
>>>> 2b5847d5c000-2b5847f5b000 ---p 0018a000 08:01 3673845
>>>> /lib/x86_64-linux-gnu/libc-2.13.so
>>>> 2b5847f5b000-2b5847f5f000 r--p 00189000 08:01 3673845
>>>> /lib/x86_64-linux-gnu/libc-2.13.so
>>>> 2b5847f5f000-2b5847f60000 rw-p 0018d000 08:01 3673845
>>>> /lib/x86_64-linux-gnu/libc-2.13.so
>>>> 2b5847f60000-2b5847f66000 rw-p 00000000 00:00 0
>>>> 2b5847f66000-2b5847f7b000 r-xp 00000000 08:01 3673873
>>>> /lib/x86_64-linux-gnu/libgcc_s.so.1
>>>> 2b5847f7b000-2b584817a000 ---p 00015000 08:01 3673873
>>>> /lib/x86_64-linux-gnu/libgcc_s.so.1
>>>> 2b584817a000-2b584817b000 r--p 00014000 08:01 3673873
>>>> /lib/x86_64-linux-gnu/libgcc_s.so.1
>>>> 2b584817b000-2b584817c000 rw-p 00015000 08:01 3673873
>>>> /lib/x86_64-linux-gnu/libgcc_s.so.1
>>>> 2b584817c000-2b584817f000 rw-p 00000000 00:00 0
>>>> 2b584817f000-2b5848788000 r-xp 00000000 08:01 797692
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_avx.so 
>>>>
>>>> 2b5848788000-2b5848988000 ---p 00609000 08:01 797692
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_avx.so 
>>>>
>>>> 2b5848988000-2b58489af000 rw-p 00609000 08:01 797692
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_avx.so 
>>>>
>>>> 2b58489af000-2b58489b0000 rw-p 00000000 00:00 0
>>>> 2b5848a7f000-2b5848be7000 rw-p 00000000 00:00 0
>>>> 2b58498ea000-2b584b206000 r-xp 00000000 08:01 795470
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_avx.so
>>>> 2b584b206000-2b584b405000 ---p 0191c000 08:01 795470
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_avx.so
>>>> 2b584b405000-2b584b41a000 rw-p 0191b000 08:01 795470
>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_avx.so
>>>> 2b584b41a000-2b584b63c000 rw-p 00000000 00:00 0
>>>> 2b584c000000-2b584c021000 rw-p 00000000 00:00 0
>>>> 2b584c021000-2b5850000000 ---p 00000000 00:00 0
>>>> 7fff9e4de000-7fff9e500000 rw-p 00000000 00:00 0
>>>> [stack]
>>>> 7fff9e54d000-7fff9e54e000 r-xp 00000000 00:00 0
>>>> [vdso]
>>>> ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0
>>>> [vsyscall]
>>>>
>>>>> stop error
>>>> -- 
>>>> ------------------------------------------------------------------------ 
>>>>
>>>> Gaku Eguchi
>>>> Department of Physics, Graduate School of Science, Kyoto University
>>>> Oiwake-cho, Kitashirakawa, Sakyou-ku, Kyoto 606-8502, Japan
>>>> Laboratory TEL : +81-75-753-3744
>>>> E-mail : geguchi at scphys.kyoto-u.ac.jp
>>>> http://www.ss.scphys.kyoto-u.ac.jp/index.html.en
>>>> ------------------------------------------------------------------------ 
>>>>
>>>>
>>>> _______________________________________________
>>>> Wien mailing list
>>>> Wien at zeus.theochem.tuwien.ac.at
>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>>
>>>>
>>>
>>>
>>
>>
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-- 
------------------------------------------------------------------------
Gaku Eguchi
Department of Physics, Graduate School of Science, Kyoto University
Oiwake-cho, Kitashirakawa, Sakyou-ku, Kyoto 606-8502, Japan
Laboratory  TEL   : +81-75-753-3744
E-mail : geguchi at scphys.kyoto-u.ac.jp
http://www.ss.scphys.kyoto-u.ac.jp/index.html.en
------------------------------------------------------------------------

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