Just 2 additional remakrs to the answers you already had: a) For a dual core Xeon system the mpi-parallel version is useless. Don't worry about mpi-compilation and neglect it.
b) The commandline "x lapw2 -so -qtl" indicates that you included spin-orbit coupling (maybe you accidentally clicked on SO somewhere ??) In any case, SO calculations can only be done after running "initso_lapw", which would create TiC.in2c for you (without initso you just have TiC.in2), and is necessary for SO calculations. Am 26.12.2011 07:21, schrieb arqum hashmi: > dear users > i am new user of wien2k. firstly i run the TiC example, and i find error in > calculating DOS > i am runing > wien2k version10 > pentium (R) dual core Xenon processor > operating system is linux > fortran compiler 11.0.074 > math libraries 10.1.0.015 > Yes, I have already browsed the archives AND READ THE USERS GUIDE and the > FAQ pages Peter provides, but I couldn't solve my problem that way. > i have following error during DOS, please guide me about this > Commandline: *x lapw2 -so -qtl * > Program input is: *""* > > forrtl: severe (24): end-of-file during read, unit 5, file > /home/hashumi/WIEN2k/TiC/TiC.in2c > Image PC Routine Line Source > lapw2c 0810B1CBUnknown Unknown Unknown > lapw2c 0810A7EB Unknown Unknown Unknown > lapw2c 080CF1DE Unknown Unknown Unknown > lapw2c 0809EAF8 Unknown Unknown Unknown > lapw2c 0809E782 Unknown Unknown Unknown > lapw2c 080B51E1 Unknown Unknown Unknown > lapw2c 080860FE MAIN__ 199 lapw2_tmp_.F > lapw2c 0804A611 Unknown Unknown Unknown > libc.so.6 563E8BE5 Unknown Unknown Unknown > lapw2c 0804A541 Unknown Unknown Unknown > 0.008u 0.000s 0:00.00 0.0% 0+0k 0+16io 0pf+0w > error: command /home/hashumi/WIEN2k/lapw2c lapw2.def failed > > thanks and regards > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -----------------------------------------