[Wannier] problem running wannier90.x

Elio Physics elio-physics at live.com
Thu Apr 2 07:59:34 CEST 2015


Dear all,
I have compiled the WANNIER package and obtained the executables (wannier90.x and postw90.x). However when I try to run the example, I face two problems:
(1) If I try to run the executable from the home directory of the form:
/home_cluster/fis718/........./wannier90.x silicon
i get the following error:
 error while loading shared libraries: libmkl_core.so: cannot open shared object file: No such file or directory. I tried to correct this error but in vain. My make.sys file is the following:
=====================================================# For Linux with intel version 11/12 on 64bit machines#=====================================================F90 = ifortCOMMS=mpiMPIF90=mpiifortFCOPTS=-O2LDOPTS=-O2
#========================================================# Intel mkl libraries. Set LIBPATH if not in default path#========================================================
LIBDIR = /opt/intel/Compiler/11.1/069/mkl/lib/em64tLIBS   =  -L$(LIBDIR) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential -lpthread -lmkl_intel_thread -lguide  -lmkl_blas95_lp64 -lmkl_lapack95_lp64
#=======================# ATLAS Blas and LAPACK#=======================#LIBDIR = /usr/local/lib#LIBS = -L$(LIBDIR)  -llapack -lf77blas -lcblas -latlas

(2) Trying to run it in erial but using mpiexec (with one processor) as in mpirun -np 1....., i get a different error:
" Error: Problem opening input file wannier.winError: examine the output/error file for details"
Although I feel the errors are related. I am trying to produce the example fileds so I have not changed anything in the files. Please can anyone help me solve this problem.
Regards
ElioUnivers of rondBrazil
 		 	   		  
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