[Wien] Wien Installation

[Gavin Abo]

In your compile.msg, I see:

ifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-assume buffered_io 
-I/home-yw/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/include 
-qopenmp -c modules_tmp_.F
./param.inc(16): error #5078: Unrecognized token '#27' skipped
       PARAMETER          (NUME=   12000.)
---------------------------------------^

I suggest using a different version of ifort, the 2016.3.210 version of 
ifort I think was buggy such that even after a successful compile was 
giving runtime errors with WIEN2k [1].

The above error seems to be saying that the dot symbol (.) after the 
NUME value is not allowed.  Try removing the dot either directly in 
param.inc or more preferably by using ./siteconfig (D -> 1 -> NUME).  
Then, try recompiling (./siteconfig -> R -> A).

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16520.html


On 3/31/2020 6:00 AM, 晨晨 wrote:
>
> Dear Prof Blaha,
>
> I am installing wien version 19.1 on Linux with intel compiler (ifort) 
> and mkl.
>
> I run ./sitecomfig_lapw. After I run “R compiler/Recompile”, errors 
> appear:
>
> “Compile time errors (if any) were:
>
> SRC_lapw1/compile.smg:./param.inc(16):error #5078: Unrecognized token 
> ‘#27’ skipped” etc.
>
> More information is as an attachment.
>
> Sincerely yours
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