[Wien] Stop run_lapw from deleting .time files after each step

Peter Blaha peter.blaha at tuwien.ac.at
Fri Sep 11 13:47:48 CEST 2026


Unfortunately I think you have to make this small change.

PS: An alias for rm could be dangerous since there might be more   rm 
commands in the script.

Am 11.09.2026 um 05:14 schrieb Straus, Daniel B:
> Hi,
> 
> Is there an easy way from stopping run_lapw from deleting the .time 
> files it creates in each step? I am fighting crashes and MPI 
> communication errors on a cluster running old versions of Intel MPI, and 
> a lot of MPI debugging information gets sent to the .time files. Some of 
> the debugging information I cannot easily redirect away from stdout.  I 
> could comment out the “rm .time” steps in the script, but I am hoping 
> there is a way to stop this behavior temporarily without modifying the 
> execution script.
> 
> Thank you,
> 
> Daniel
> 
> Daniel Straus
> 
> Assistant Professor
> 
> Department of Chemistry
> 
> Tulane University
> 
> 5088 Percival Stern Hall
> 
> 6400 Freret Street
> 
> New Orleans, LA 70118
> 
> (504) 862-3585
> 
> http://straus.tulane.edu/ <http://straus.tulane.edu/>
> 
> 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: peter.blaha at tuwien.ac.at
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