[Wien] Upgrade to WIEN2k_19.1_lapw2_error

[Ashwani Kumar]

Hi,
   I upgraded wien2k version from 16 yo 19.1 (remove earlier one, fresh
installation of W2K_19.1) on 6 core(x2thread) PC. This time LIBxc, fftw3
also installed and suitable libraries linked to compiler option in site
configuration (as mentioned in mailing list threads). WIEN2k_19.1 compiled
successfully (in 3rd attempt). No problem during "init_lapw" but error
files without any message is being generated for LAPW1 and calculation
crashed at LAPW2 with message:

 'LAPW2' - can't open unit: 15

 'LAPW2' -        filename: hfo_gga_opt.tmp

 'LAPW2' -          status: scratch      form: unformatted

**  testerror: Error in Parallel LAPW2

*********************** WIEN2k_OPTIONS***********************************
current:FOPT:-ffree-form -O2 -ftree-vectorize -march=native
-ffree-line-length-none -ffpe-summary=none
current:FPOPT:-ffree-form -O2 -ftree-vectorize -march=native
-ffree-line-length-none -ffpe-summary=none
current:OMP_SWITCH:-fopenmp
current:LDFLAGS:$(FOPT) -L../SRC_lib
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lblas -llapack -lpthread
current:FFTWROOT:/home/hardy/fftw/
current:FFTW_VERSION:FFTW3
current:FFTW_LIB:lib
current:FFTW_LIBNAME:fftw3
current:LIBXCROOT:/home/hardy/libxc/
current:LIBXC_FORTRAN:xcf03
current:LIBXC_LIBNAME:xc
current:LIBXC_LIBDNAME:lib/
current:SCALAPACKROOT:/home/hardy/
current:SCALAPACK_LIBNAME:/home/hardy
current:BLACSROOT:/home/hardy/
current:BLACS_LIBNAME:/home/hardy
current:ELPAROOT:
current:ELPA_VERSION:
current:ELPA_LIB:
current:ELPA_LIBNAME:
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
current:CORES_PER_NODE:1
current:MKL_TARGET_ARCH:
current:RP_LIBS:-lredist -ltools -lfblacs -lblacs -lmpi
********************************************************************************************

Compilers used : gfortran & gcc
Where should be done to correct the errors?.

***********.bashrc file details*********************************
# .bashrc

# Source global definitions
if [ -f /etc/bashrc ]; then
. /etc/bashrc
fi

# Uncomment the following line if you don't like systemctl's auto-paging
feature:
# export LD_LIBRARY_PATH=/root/openblas-0.3.3-2.fc28.x86_64

# User specific aliases and functions



#------------------------------------------------------------------------
# this is for XCRYSDEN 1.5.60; added by XCRYSDEN installation on
# Sun Oct 28 23:09:15 IST 2018
#------------------------------------------------------------------------
XCRYSDEN_TOPDIR=/home/hardy/xcrysden-1.5.60-bin-semishared
XCRYSDEN_SCRATCH=/home/hardy/xcrys_tmp
export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH
PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/scripts:$XCRYSDEN_TOPDIR/util"

# added by WIEN2k: BEGIN
# --------------------------------------------------------
alias lsi="ls -aslp *.in*"
alias lso="ls -aslp *.output*"
alias lsd="ls -aslp *.def"
alias lsc="ls -aslp *.clm*"
alias lss="ls -aslp *.scf* */*.scf"
alias lse="ls -aslp *.error"
alias LS="ls -aslp | grep /"
alias pslapw="ps -ef |grep "lapw""
alias cdw="cd /home/hardy/wienwork"
export OMP_NUM_THREADS=6
#export LD_LIBRARY_PATH=.....
export EDITOR="emacs"
export SCRATCH=./
export WIENROOT=/home/hardy/WIEN2k_19.1
export W2WEB_CASE_BASEDIR=/home/hardy/wienwork
export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin
export PDFREADER=xpdf
export
PATH=$WIENROOT:$STRUCTEDIT_PATH:$WIENROOT/SRC_IRelast/script-elastic:$PATH:.
export OCTAVE_EXEC_PATH=${PATH}::
export OCTAVE_PATH=${STRUCTEDIT_PATH}::

export PATH=$PATH:$WIENROOT:.
ulimit -s unlimited
alias octave="octave -p $OCTAVE_PATH"
# --- BERRYPI START ---
export BERRYPI_PATH=$WIENROOT/SRC_BerryPI/BerryPI
export BERRYPI_PYTHON=/usr/bin/python2.7
alias berrypi="${BERRYPI_PYTHON} ${BERRYPI_PATH}/berrypi"
# --- BERRYPI END ---
# --------------------------------------------------------
# added by WIEN2k: END
*******************************************************************
thanks,
A. Kumar
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