[Wien] error in parallel lapw2

BUSHRA SABIR b_sabir437 at yahoo.com
Sat Oct 20 09:58:28 CEST 2018


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.

BushraPhD student

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20181020/37aa7345/attachment.html>


More information about the Wien mailing list