Thank sir for your help but i have already error when execute run_lapw: ?LAPW0 END ?forrtl: severe (71): integer divide by zero ? ?Stack trace terminated abnormally. ? ?>?? stop error
? BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 ________________________________ De?: farouk boutaiba <boutaiba_f at yahoo.fr> ??: "wien at zeus.theochem.tuwien.ac.at" <wien at zeus.theochem.tuwien.ac.at> Envoy? le : Dimanche 24 juin 2012 15h36 Objet?: error in calculation with wien2k Dear wien2k user; after instalation of wien2k code, I am getting following error while running x nn: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory 0.000u 0.000s 0:00.00 0.0%????? 0+0k 0+0io 0pf+0w error: command?? /root/wien/nn nn.def?? failed I have following settings: Compiler: /opt/intel/fce/9.1.026/bin Options: current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -O3 -axT current:FPOPT: current:LDFLAGS:$(FOPT) -L /opt/intel/mkl/9.1.023/lib/em64t -lguide -lpthread -L/lib64 current:DPARALLEL:'-DParallel' current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lpthread -pthread current:RP_LIBS: CPU Information Processor (CPU): Intel(R) Core(TM) i5-2400S CPU @ 2.50GHz Speed: 1,600.00 MHz Cores: 4 Total memory (RAM): 3.0 GiB system Information Linux 2.6.31.5-0.1-desktop x86_64 System: openSUSE 11.2 (x86_64) KDE: 4.3.1 (KDE 4.3.1) "release 6" I appreciate any help. Thanks in advance ? BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120626/102586ad/attachment.htm>