[Wien] Problem with aim.def

[Bruno Landeros]

Dear Gavin:

I was trying to run inside a subdirectory created by the save_lawp -d option. This subdirectory was /home/bruno/Wien2k/hpn_final/hpn_final_converged.

I tried to run in a previous directory which is /home/bruno/Wien2k/hpn_final and it finally worked. Maybe something was wrong with the full path of the subdirectory. 

Thank you very much!  

To: wien at zeus.theochem.tuwien.ac.at
From: gsabo at crimson.ua.edu
Date: Fri, 18 Sep 2015 16:24:59 -0600
Subject: Re: [Wien] Problem with aim.def


  
    
  
  
    I do a quick test in a bash ($)
      terminal and this is what I get:

      

      username at computername:~/Desktop/test$ pwd

      /home/username/Desktop/test <= What is
        your full path?  If it is long, try shorting it.  Is your
        directory name "hpn_final_converged"
        or this the name cutoff? 

      username at computername:~/Desktop/test$ rm aim.def <= Maybe, remove the aim.def and try again.

      username at computername:~/Desktop/test$ aim

        ERROR IN OPENING AIM.DEF !!!!

      AIM.DEF

      username at computername:~/Desktop/test$ aim aim.def

        ERROR IN OPENING AIM.DEF !!!!

      AIM.DEF

      username at computername:~/Desktop/test$ ls -l aim.def

      ls: cannot access aim.def: No such file or directory

      username at computername:~/Desktop/test$ x aim

      1.0u 0.0s 0:01.02 99.0% 0+0k 0+96io 0pf+0w <=
        I experience no error here with "x aim".

      username at computername:~/Desktop/test$ ls -l aim.def

      -rw-rw-r-- 1 username username 330 Sep 18 16:04 aim.def <= What are your read permissions for
        aim.def?

      username at computername:~/Desktop/test$ cat aim.def

      5 ,'test.inaim', 'old',    'formatted',0

      6 ,'test.outputaim',   'unknown','formatted',0

      8 ,'test.struct',    'old',    'formatted',0

      9 ,'test.clmsum',    'old',    'formatted',0

      21,'test.surf',       'unknown','formatted',0

      22,'test.crit',       'unknown','formatted',0

      77,'test.aim_surface_errors',       'unknown','formatted',0

      

      On 9/18/2015 1:28 PM, Bruno Landeros wrote:

    
    
      
      Dese Gabin:
      

      
      I didn't craeate manually the aim.def. First I tried by using
      

      
      $ x aim 
      

      
      Then it was automatically generated but giving the same
        mistake.
      

      
      

      
      Then I tried:
      

      
      $ x aim -d 
      

      
      To generate the aim.def and then run ir. But the mistake was
        the same in either case:
      

      
         ERROR IN OPENING AIM.DEF
      AIM.DEF
      

      
      

      
      Thank you for answering! Have you another suggestion of what
        may be possibly wrong?
      

      
      Greetings
      

      
      Bruno
    
  


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