[Wien] error in parallel lapw2

[tran at theochem.tuwien.ac.at]

Hi,

Does it occur everytime you start this job?

FT

On Saturday 2018-10-20 09:58, BUSHRA SABIR wrote:

>Date: Sat, 20 Oct 2018 09:58:28
>From: BUSHRA SABIR <b_sabir437 at yahoo.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: "wien at zeus.theochem.tuwien.ac.at" <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] error in parallel lapw2
>
>Dear Peter Blaha and wien2k users
>
>I am facing one problem in parallel execution of job script. I am working on LaXO3 materials. initialization is ok but when i submitted job file on cluster for
>parallel execution with command line runsp_lapw -cc 0.001 -ec 0.0001 -i 40 -p .
>
>following error apears.cat *.error
>
>'LAPW2' - can't open unit: 18                                                
> 'LAPW2' -        filename: LAO.vspup                                         
> 'LAPW2' -          status: old          form: formatted                      
>**  testerror: Error in Parallel LAPW2
>
>file LAO.vspup is missing, i think it automatically generated during parallel lapw2
>
>i checked testpara1_lapw
>#####################################################
>#                     TESTPARA1                     #
>#####################################################
>
>Sat Oct 20 00:22:39 PDT 2018
>
>    lapw1para has finished
>
> for testpara2_lapw
>#####################################################
>#                     TESTPARA1                     #
>#####################################################
>
>Sat Oct 20 00:22:39 PDT 2018
>
>    lapw1para has finished
>
>At the end of day file following error is shown
>
>0.088u 0.060s 0:05.14 2.7%    0+0k 0+288io 0pf+0w
>>   lapw2 -up -p          (23:56:15) running LAPW2 in parallel mode
>**  LAPW2 crashed!
>0.048u 0.312s 0:00.72 48.6%    0+0k 11386+96io 36pf+0w
>error: command   /global/common/sw/cray/cnl6/haswell/wien2k/17.1/intel/17.0.2.174/wkteycp/lapw2para -up uplapw2.def   failed
>
>i go through mailing list but could not find solution.
>
>
>Bushra
>PhD student
>
>
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