[Wien] running wien2k_05 as a background process

[Peter Blaha]

Such behaviour depends on your Linux/Unix version/settings.

The problem is that when a process wants to write to a "terminal" and it 
can't (because you have logged off), it stops.
Several ways out:

use eg the Unix "batch" or "at" command, to submit jobs to the batch 
system (at daemons,... must be enabled)

use something like (for a tcsh shell, I don't know for bash):

run_lapw -p -fc 1.0 >& STDOUT &

This will redirect all output/errors to a file STDOUT and the process 
should continue even when you logout. Later on you can check STDOUT and 
see what it in there! (so its also usefull for debugging).


> I am having trouble running WIEN2k_05 as a background process,
> and I was wondering if anyone else has come across this?
> I can run run_lapw fine as long as I don't log out.  This is 
> not a problem I had with the previous versions.
> 
> I am using the latest version released on 25/2/05.
> I have tried using two Intel Xeon machines:
> 2.2GHz dual 32 processor using portland compilers
> There are no error/core dumping/anything!
> The .dayfine is shown below:
> start       (Tue Mar 22 16:35:47 GMT 2005) with lapw0 (20/20 to go)
> 
>     cycle 1     (Tue Mar 22 16:35:47 GMT 2005)  (20/20 to go)
> 
> >   lapw0       (16:35:47) 2.000u 0.040s 0:05.20 39.2%  0+0k 0+0io 285pf+0w
> >   lapw1       (16:35:52) 125.780u 1.060s 3:11.20 66.3%        0+0k 0+0io 
> 332pf
> +0w
> >   lapw2       (16:39:04) 4.670u 0.070s 0:10.63 44.5%  0+0k 0+0io 305pf+0w
> >   lcore       (16:39:15) 0.060u 0.000s 0:00.31 19.3%  0+0k 0+0io 192pf+0w
> >   mixer       (16:39:16) 0.230u 0.040s 0:00.52 51.9%  0+0k 0+0io 231pf+0w
> :ENERGY convergence:  0 0 .0566330000000000
> :CHARGE convergence:  0 0.0001 .1800915
> 
> 3.4GHz dual 64 processor using ifort8.1
> (This is a new machine, and so I haven't run WIEN on it before.)
> In this case the core is dumped after lapw1, although all the
> lapw1 output files (such as .output1) appear to be fine.
> the .dayfile is shown below:
>     start       (Tue Mar 22 17:28:11 GMT 2005) with lapw0 (20/20 to go)
> 
>     cycle 1     (Tue Mar 22 17:28:11 GMT 2005)  (20/20 to go)
> 
> >   lapw0       (17:28:11) 0.420u 0.030s 0:00.67 67.1%  0+0k 0+0io 425pf+0w
> >   lapw1       (17:28:11) Abort (core dumped)
> 22.790u 0.810s 0:24.06 98.0%    0+0k 0+0io 1096pf+0w
> >   lapw2       (17:28:35) 2.040u 0.110s 0:03.03 70.9%  0+0k 0+0io 546pf+0w
> >   lcore       (17:28:38) 0.030u 0.000s 0:00.04 75.0%  0+0k 0+0io 366pf+0w
> >   mixer       (17:28:39)  ispin set to           1
> 0.060u 0.030s 0:00.10 90.0%     0+0k 0+0io 391pf+0w
> :ENERGY convergence:  0 0 .0000030000000000
> :CHARGE convergence:  1 0.0001 -.0000878
> 
> Any comments/suggestions would be very much appreciated!
> 
> best wishes
> Rebecca
> 
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> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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