[Wien] core leakage problem

[Lyudmila Dobysheva]

On 14.07.2015 10:29, Muhammad Sajjad wrote:
> I used second method according to my understanding. After structure
> generation and init_lapw, applied the switch *MSEC1a in case.inm* and

The userguide says that after init lapw you should make
"run lapw -fc 1 [another runXX script or additional options are of 
course also possible]"

> then run the calculations using *run_lapw -fc 0.5 -ec 0.0001 -cc
> 0.001 80*

I don't know what is 80 here.

  But the calculations are not proceeding and what I found
> from*case.dayfile* is
> Calculating 2relax in /home/sajjadm/sajjad/flexibleSi/silayer/2relax
> on kw12165 with PID 9457
> using WIEN2k_14.2 (Release 15/10/2014) in /opt/share/WIEN2K/v14.2-ifort-11.1.075.app
> 2relax.inM and .minrestart have been created by pairhess
>>   lapw1  -p   -c 	(21:44:23) starting parallel lapw1 at Mon Jul 13 21:44:23 AST 2015
> ->  starting parallel LAPW1 jobs at Mon Jul 13 21:44:23 AST 2015
> running LAPW1 in parallel mode (using .machines)
> 5 number_of_parallel_jobs
> [1] 14781
> [2] 14797
> [3] 14813
> [4] 14829
> [5] 14845
> In terminal, top command is not showing 5 processors running lapw1 but before it was going on.

I am afraid nobody is able to find the reason with this info. Maybe this 
is an occasional system crash or something else. Try and find it.

> Please clarify that how to use*  the shell script min lapw, together with the program mini*?I mean which*  command*  do I need to run?

As far as I understand you, this is "a first method", while you used "a 
second one"?
Userguide: "When using the second method we recommend you read carefully 
$WIEN-ROOT/SRC mixer/README 5.2.pdf".

Section 5.3.2 Minimization of internal parameters describes the first 
method.

Best wishes
   Lyudmila Dobysheva
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