[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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