Dear WIEN2k developers and users I have a problem in installing the latest wien2k in UBUNTU 11.10 64 bit OS. My computer specification is dell inspiron laptop having intel centrino duo processor, 3 GB RAM and clock speed 2GHz. I have successfully installed the composer xe 2011 and edit my bash as follows as per instructions by the intel software forum: $ source /opt/intel/bin/compilervars.sh intel64 $ export MKL_TARGET_ARCH MKL_LP64_ILP64 MKL_VERBOSE MKL_MODI kept the compiler option default and change the real library option as
?-L$(MKLROOT)/lib/intel64 $(MKLROOT)/lib/intel64/libmkl_blas95_ilp64.a $(MKLROOT)/lib/intel64/libmkl_lapack95_ilp64.a -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread -lm ?When I tried to run TiC I got the following error message on james-pc with PID 2770 using WIEN2k_11.1 (Release 14/6/2011) in /home/james/WIEN2k ? start (Fri Apr 27 22:09:03 IST 2012) with lapw0 (40/99 to go) cycle 1 (Fri Apr 27 22:09:03 IST 2012) (40/99 to go) > lapw0 (22:09:03) 3.816u 0.080s 0:04.42 88.0% 0+0k 18776+424io 49pf+0w > lapw1 (22:09:07) Bus error 0.360u 0.016s 0:00.49 75.5% 0+0k 4592+256io 16pf+0w error: command /home/james/WIEN2k/lapw1 lapw1.def failed > stop error What might be the cause of this error. Please help Jameson Maibam Assam University, Silchar -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120428/3b970ce8/attachment.htm>