<div dir="ltr">Sir <div><div>The make file that I have used is:</div><div><div>#===================</div><div># gfortran</div><div>#===================</div><div>F90 = gfortran</div><div><br></div><div>#Add next two lines for parallel postw90. Choose the correct name of the mpi f90 wrapper</div><div>#COMMS = mpi </div><div>#MPIF90 = mpgfortran #mpif90</div><div><br></div><div>FCOPTS = -O3 </div><div>LDOPTS =</div><div><br></div><div>#Next two lines are good for debugging</div><div>#FCOPTS = -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace </div><div>#LDOPTS = -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace</div><div><br></div><div><br></div><div>#=======================</div><div># ATLAS Blas and LAPACK</div><div>#=======================</div><div>#LIBDIR = /usr/local/lib</div><div>#LIBS = -L$(LIBDIR) -llapack -lf77blas -lcblas -latlas</div><div><br></div><div><br></div><div>#=======================</div><div># NETLIB LAPACK and BLAS</div><div>#=======================</div><div>LIBDIR = /usr/bin/gfortran </div><div>LIBS = -L$(LIBDIR) -llapack -lblas</div></div><div><br></div><div><br></div><div><br></div><div>After the make command in terminal i get:</div><div><br></div><div><div>ec@ec-HCL-Desktop:~/wannier90-2.0.1$ make</div><div>(cd ./src/obj && make -f ../Makefile.2 serialobjs)</div><div>make[1]: Entering directory `/home/ec/wannier90-2.0.1/src/obj'</div><div>gfortran -O3 -c ../constants.F90</div><div>gfortran -O3 -c ../io.F90</div><div>gfortran -O3 -c ../utility.F90</div><div>gfortran -O3 -c ../parameters.F90</div><div>gfortran -O3 -c ../hamiltonian.F90</div><div>gfortran -O3 -c ../overlap.F90</div><div>gfortran -O3 -c ../kmesh.F90</div><div>gfortran -O3 -c ../disentangle.F90</div><div>gfortran -O3 -c ../wannierise.F90</div><div>gfortran -O3 -c ../plot.F90</div><div>gfortran -O3 -c ../transport.F90</div><div>make[1]: Leaving directory `/home/ec/wannier90-2.0.1/src/obj'</div><div>(cd ./src/obj && make -f ../Makefile.2 wannier)</div><div>make[1]: Entering directory `/home/ec/wannier90-2.0.1/src/obj'</div><div>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</div><div>make[1]: Leaving directory `/home/ec/wannier90-2.0.1/src/obj'</div><div>(cd ./src/objp && make -f ../Makefile.2 post)</div><div>make[1]: Entering directory `/home/ec/wannier90-2.0.1/src/objp'</div><div>gfortran -O3 -c ../constants.F90</div><div>gfortran -O3 -c ../io.F90</div><div>gfortran -O3 -c ../utility.F90</div><div>gfortran -O3 -c ../parameters.F90</div><div>gfortran -O3 -c ../kmesh.F90</div><div>gfortran -O3 -c ../postw90/comms.F90</div><div>gfortran -O3 -c ../postw90/postw90_common.F90</div><div>gfortran -O3 -c ../postw90/get_oper.F90</div><div>gfortran -O3 -c ../postw90/wan_ham.F90</div><div>gfortran -O3 -c ../postw90/spin.F90</div><div>gfortran -O3 -c ../postw90/dos.F90</div><div>gfortran -O3 -c ../postw90/berry.F90</div><div>gfortran -O3 -c ../postw90/kpath.F90</div><div>gfortran -O3 -c ../postw90/kslice.F90</div><div>gfortran -O3 -c ../postw90/boltzwann.F90</div><div>gfortran -O3 -c ../postw90/geninterp.F90</div><div>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</div><div>make[1]: Leaving directory `/home/ec/wannier90-2.0.1/src/objp'</div></div><div><br></div><div><br></div><div>when I run the wannier code I get the following error:</div><div><br></div><div><br></div><div><div> ec@ec-HCL-Desktop:~/wannier90-2.0.1$ ./wannier90.x lead</div><div> Error: Problem opening input file lead.win</div><div>Error: examine the output/error file for details</div></div><div><br></div><div>The error file is:</div><div><div>Wannier90: Execution started on 3Aug2016 at 20:23:32 </div><div> Exiting.......</div><div> Error: Problem opening input file lead.win\</div></div><div><br></div><div>Sir kindly tell me where is the problem that the code is not running</div><div><br></div><div><br></div><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><b style="font-size:12.8px"><br></b></div><div dir="ltr"><span style="background-color:rgb(255,255,255)"><font color="#000000"><span style="font-size:12.8px">With regards,</span><br></font></span></div><div dir="ltr"><span style="background-color:rgb(255,255,255)"><font color="#000000"><span style="font-size:12.8px"><br></span></font></span></div><div><span style="background-color:rgb(255,255,255)"><font color="#000000"><span style="font-size:12.8px">Bhubon</span></font></span></div><div><span style="background-color:rgb(255,255,255)"><font color="#000000"><span style="font-size:12.8px"><br></span></font></span></div><div><span style="background-color:rgb(255,255,255)"><font color="#000000"><span style="font-size:12.8px">-------------------------------</span></font></span></div><div dir="ltr"><div><span style="background-color:rgb(255,255,255)"><font color="#000000">Bhubon Chandra Mech, </font></span><span style="color:rgb(0,0,0);font-size:12.8px">Research Scholar</span></div><div><span style="background-color:rgb(255,255,255)"><font color="#000000">Department of Electronics Engineering</font></span></div><div><span style="background-color:rgb(255,255,255)"><font color="#000000">Indian School of Mines , <span style="font-size:12.8px">Dhanbad - 826004, India</span></font></span></div><div><span style="font-size:12.8px;background-color:rgb(255,255,255)"><font color="#000000">Contact No. +918521783489</font></span></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
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