[Wien] x w2w error in WIEN2k.14

Yue-Wen Fang yuewen.fang at gmail.com
Tue Oct 27 10:26:40 CET 2015


*Dear Gavin,*

*I really appreciate your kind help. Your question in last email motivated
me to check the files in the SRC_w2w folder. "file w2w" in that folder gave
the correct bit features. Thus I removed w2w in $WIENROOT and created a
soft link of w2w from SRC_w2w folder. It can run well and the output files
(subdir.mmn, subdir.amn, and subdir.eig) were written.*

*Unfortunately thestep "x wannier90"  seemed not to work well, where the
output information was given as following.*

$  ~/fang/v1/subdir 17:46:20 >x wannier90
wannier90 error: examine the output/error file for details
0.009u 0.007s 0:00.05 0.0%      0+0k 0+0io 3pf+0w

*At the end of the file "subdir.wout", it said that *

 *============================================================================*
 |                              MEMORY ESTIMATE
  |
 |         Maximum RAM allocated during each phase of the calculation
  |
 *============================================================================*
 |                        Disentanglement            1.91 Mb
   |
 |                            Wannierise:            0.26 Mb
   |
 *----------------------------------------------------------------------------*

 Starting a new Wannier90 calculation ...

 Time to write kmesh            0.049 (sec)

 Exiting... subdir.nnkp written.

*Then, "vi subdir.nnkp" was used to check the contents of nnkp file. This
file contained many k-points. But the official guide said that position and
spread of the WF’s should be written in subdir.wout, in my case, this part
of data was missing. Have you ever encountered this problem?*

*Bests*
*Fang*




2015-10-27 16:13 GMT+08:00 Gavin Abo <gsabo at crimson.ua.edu>:

> Yes, that is strange.  The w2w file should also be an "ELF 64-bit LSB
> executable".
>
> How about the w2w file in the SRC_w2w folder of the ~/WIEN2k.14/
> directory, is it also gzip compressed data file?
>
>
> On 10/27/2015 2:02 AM, Yue-Wen Fang wrote:
>
> Dear Gavin,
>
> Thanks for the information.
>
> My system is a 64 bit redhat linux system. It's very strange that the
> execution of "file w2w" showed "w2w: gzip compressed data, from Unix, last
> modified: Sat Nov 20 04:32:01 2004." Actually I just compiled the latest
> version of wien2k in this morning.
>
> I also use the commad "file nn" in $WIENROOT and it gave me the
> information about bit of nn.
>
> nn: ELF 64-bit LSB executable, AMD x86-64, version 1 (SYSV), for GNU/Linux
> 2.6.9, dynamically linked (uses shared libs), for GNU/Linux 2.6.9, not
> stripped
>
> Bests
> Fang
>
>
> 2015-10-27 15:33 GMT+08:00 Gavin Abo <gsabo at crimson.ua.edu>:
>
>> That error usually happens if the w2w executable file is compiled on a 64
>> bit operating system, but then it is copied and ran on a 32 bit operating
>> system [
>> https://www.dartmouth.edu/~rc/classes/softdev_linux/32-64bit.html ].
>> You can probably use the Linux 'file' command [
>> <http://superuser.com/questions/791506/how-to-determine-if-a-linux-binary-file-is-32-bit-or-64-bit>
>> http://superuser.com/questions/791506/how-to-determine-if-a-linux-binary-file-is-32-bit-or-64-bit
>> ] to check if the w2w executable file is 32 bit or 64 bit:
>>
>> $ cd ~/WIEN2k.14/
>> $ file w2w
>>
>> (where $ is a bash terminal)
>>
>>
>> On 10/27/2015 12:15 AM, Yue-Wen Fang wrote:
>>
>> Dear all,
>>
>> During the execution of *x w2w* in order to compute the overlap matrix,
>> it gave me some error shown below.
>>
>> hcding at login1  ~/v1/subdir 14:54:07 >*x w2w*
>> ~/WIEN2k.14/w2w: Exec format error. Wrong Architecture.
>> 0.000u 0.000s 0:00.02 0.0%      0+0k 0+0io 0pf+0w
>> error: command   ~/WIEN2k.14/w2w w2w.def   failed
>>
>> I googled this error but got no solutions. Could you help fix this?
>>
>> Note that, before execution of x w2w, I have used "x lapw1' to compute
>> the eigenvectors on full k-mesh. The verison of WIEN2k is the latest one,
>> and the version of Python is 2.7.2.
>>
>>
>> Bests
>> Fang
>>
>>
>> --
>> ------------------------------------------------------------------------------------------------------------
>>
>> Yue-Wen FANG, PhD candidate
>> East China Normal University
>> <http://english.ecnu.edu.cn/>
>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at:
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>>
>>
>
>
> --
> ------------------------------------------------------------------------------------------------------------
>
> Yue-Wen FANG, PhD candidate
> Key Laboratory of Polar Materials and Devices, Ministry of Education
> <http://clpm.ecnu.edu.cn/>
> East China Normal University
> <http://english.ecnu.edu.cn/>
>
>
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
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>
>


-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD candidate
Key Laboratory of Polar Materials and Devices, Ministry of Education
<http://clpm.ecnu.edu.cn/>
East China Normal University  <http://english.ecnu.edu.cn/>
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