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
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