[Wannier] error in running wannier90

Bhubon Mech bhubon1126 at gmail.com
Wed Aug 3 17:11:04 CEST 2016


Sir
The make file that I have used is:
#===================
# gfortran
#===================
F90 = gfortran

#Add next two lines for parallel postw90. Choose the correct name of the
mpi f90 wrapper
#COMMS  = mpi
#MPIF90 = mpgfortran #mpif90

FCOPTS = -O3
LDOPTS =

#Next two lines are good for debugging
#FCOPTS = -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs
-Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused
-Wno-character-truncation -O1 -g -fbacktrace
#LDOPTS = -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs
-Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused
-Wno-character-truncation -O1 -g -fbacktrace


#=======================
# ATLAS Blas and LAPACK
#=======================
#LIBDIR = /usr/local/lib
#LIBS = -L$(LIBDIR)  -llapack -lf77blas -lcblas -latlas


#=======================
# NETLIB LAPACK and BLAS
#=======================
LIBDIR = /usr/bin/gfortran
LIBS = -L$(LIBDIR)  -llapack -lblas



After the make command in terminal i get:

ec at ec-HCL-Desktop:~/wannier90-2.0.1$ make
(cd ./src/obj && make -f ../Makefile.2 serialobjs)
make[1]: Entering directory `/home/ec/wannier90-2.0.1/src/obj'
gfortran  -O3  -c ../constants.F90
gfortran  -O3  -c ../io.F90
gfortran  -O3  -c ../utility.F90
gfortran  -O3  -c ../parameters.F90
gfortran  -O3  -c ../hamiltonian.F90
gfortran  -O3  -c ../overlap.F90
gfortran  -O3  -c ../kmesh.F90
gfortran  -O3  -c ../disentangle.F90
gfortran  -O3  -c ../wannierise.F90
gfortran  -O3  -c ../plot.F90
gfortran  -O3  -c ../transport.F90
make[1]: Leaving directory `/home/ec/wannier90-2.0.1/src/obj'
(cd ./src/obj && make -f ../Makefile.2 wannier)
make[1]: Entering directory `/home/ec/wannier90-2.0.1/src/obj'
gfortran ../wannier_prog.F90  constants.o io.o utility.o parameters.o
hamiltonian.o overlap.o kmesh.o disentangle.o wannierise.o plot.o
transport.o -L/usr/bin/gfortran   -llapack -lblas -o ../../wannier90.x
make[1]: Leaving directory `/home/ec/wannier90-2.0.1/src/obj'
(cd ./src/objp && make -f ../Makefile.2 post)
make[1]: Entering directory `/home/ec/wannier90-2.0.1/src/objp'
gfortran  -O3  -c ../constants.F90
gfortran  -O3  -c ../io.F90
gfortran  -O3  -c ../utility.F90
gfortran  -O3  -c ../parameters.F90
gfortran  -O3  -c ../kmesh.F90
gfortran  -O3  -c ../postw90/comms.F90
gfortran  -O3  -c ../postw90/postw90_common.F90
gfortran  -O3  -c ../postw90/get_oper.F90
gfortran  -O3  -c ../postw90/wan_ham.F90
gfortran  -O3  -c ../postw90/spin.F90
gfortran  -O3  -c ../postw90/dos.F90
gfortran  -O3  -c ../postw90/berry.F90
gfortran  -O3  -c ../postw90/kpath.F90
gfortran  -O3  -c ../postw90/kslice.F90
gfortran  -O3  -c ../postw90/boltzwann.F90
gfortran  -O3  -c ../postw90/geninterp.F90
gfortran ../postw90/postw90.F90   parameters.o kmesh.o io.o comms.o
utility.o get_oper.o constants.o postw90_common.o wan_ham.o spin.o dos.o
berry.o kpath.o kslice.o boltzwann.o geninterp.o -L/usr/bin/gfortran
-llapack -lblas -o ../../postw90.x
make[1]: Leaving directory `/home/ec/wannier90-2.0.1/src/objp'


when I run the wannier code I get the following error:


 ec at ec-HCL-Desktop:~/wannier90-2.0.1$ ./wannier90.x lead
 Error: Problem opening input file lead.win
Error: examine the output/error file for details

The error file is:
Wannier90: Execution started on  3Aug2016 at 20:23:32
 Exiting.......
 Error: Problem opening input file lead.win\

Sir kindly tell me where is the problem that the code is not running



With regards,

Bhubon

-------------------------------
Bhubon Chandra Mech, Research Scholar
Department of Electronics Engineering
Indian School of Mines , Dhanbad - 826004, India
Contact No. +918521783489
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