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_sabir...@yahoo.com>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: "wien@zeus.theochem.tuwien.ac.at" <wien@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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