[Wien] Error

[Gavin Abo]

You should compile all programs again with siteconfig.  However, before 
you do that, you must change your compiler settings to target the 
correct architecture for your system.

> ifort -o ./nn struk.o variable_fields.o nn.o dirlat.o ord2.o 
> reduce_alloc.o bvan.o  -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip 
> -DINTEL_VML -traceback -03 -AVX  
> -L/opt/intel/compilers_and_libraries_2018.2.199/linux/mkl/lib/ 
> -pthread -i -static

I don't know for sure, but maybe it is because your system processor 
doesn't support AVX.  I would try removing the -AVX in siteconfig from 
your compiler settings.

However, since you have to compile again, I recommend using WIEN2k 
18.2.  I think there are some programs that do not work when WIEN2k 17.1 
is compiled with the Intel 2018 compiler without it being patched.  To 
patch WIEN2k 17.1, it is now better to update the individual packages 
according to the WIEN2k website [ 
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ], but it becomes 
WIEN2k 18.2 anyway when you do that.  Since multiple individual packages 
of WIEN2k 17.1 have to be updated, something can more easily go wrong.  
Thus, I suggest installing WIEN2k 18.2 directly rather than trying to 
update the packages individually.

On 7/20/2018 12:36 AM, Subhasis Panda wrote:
> Dear Sir,
> As suggested by you, we checked for the nn directory in Wienroot & it 
> was not there. So we copy it from SRC_nn. Then ls - l command show 
> read write option but not excution option (x). So by chmod +x we make 
> it excutable option. Then from w2web  initialize caln following errors 
> are showing.
>
> /home/anupriya/WIEN2k_17.1/nn
>  : Exec format error. Wrong Architecture
>
> error: command   /home/anupriya/WIEN2k_17.1/nn nn.def   failed
>  n stop error n
>
> Kindly suggest what to do.
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