hi all I am a new user and I tried to instal wien2k. and I got some errors at the end. I think my problem started in these two parts.
in the beging of Wien2k instalation we will have such a menu ????? S?? specify a system ????? C?? specify compiler ????? O?? specify compiler options, BLAS and LAPACK ????? P?? configure Parallel execution ????? D?? Dimension Parameters ????? R?? Compile/Recompile ????? U?? Update a package ????? L?? Perl path (if not in /usr/bin/perl) ????? Q?? Quit by typing s we will have this ???? I??? Linux (Intel ifort 12.0 compiler + mkl ) ???? J??? Linux (Intel ifort 9 or 10 compiler + mkl 9.0 ) ???? K??? Linux (Intel ifort 11.0 compiler + mkl ) ???? K1?? Linux (Intel ifort 11.1 compiler + mkl ) ???? A??? AIX ???? V??? Linux (gfortran compiler + gotolib) ???? G??? GENERIC (should work on any platform) ???? D??? DEC ???? H??? HP ???? L??? Linux (PGI compiler) ???? P??? Linux (Pathscale compiler) ???? W??? Linux (G95 compiler + gotolib) ???? S??? SGI (Origin)??? ???? U??? SUN???? ???? N??? NEC ???? L1?? Linux (Lahey LF97 compiler) ???? M??? Mac?? (mac g4 + absoft compiler) ???? S1?? SGI Altix 350/3000 with Intel 7.1 compiler) ???? Q?? Quit but we couldn`t find out compuler among them, so we just typed K1 and click enter. now in two next step we will have problem. after coming back to the main menu by typing o to specify compiler options, BLAS and LAPACK again we have a problem and I don`t know how to edit these recommended options which match to my computer. Recommended options for system linuxif111 are: ???? Compiler options:??????? -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback ???? Linker Flags:??????????? $(FOPT) -L/opt/intel/Compiler/11.1/046/mkl/lib/em64t -pthread ???? Preprocessor flags:????? '-DParallel' ???? R_LIB (LAPACK+BLAS):???? -lmkl_lapack -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide I think the errores that I got at the end of instalatio are caused with giving the wrong information in these two steps. my computer have centos5.3, and my compiler is l_fcompxe_ia32_2011.4.191? -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111129/ac05a331/attachment.htm>
