<p>There is no connection between the compilation warning and your lstart error. Almost certainly you have an error in your struct file although it could be in the inst file.</p>
<div class="gmail_quote">On Feb 18, 2011 5:30 AM, "César de la Fuente" <<a href="mailto:cesar@unizar.es" target="_blank">cesar@unizar.es</a>> wrote:<br type="attribution">> To whom may concern,<br>> <br>
> After a successful installation of wien2k v.10 by using ifort and icc v.12.0<br>
> and mkl 10.3 time ago, I have had re-installing again wien2k soft and intel<br>> compilers. But now I cannot avoid the next problem never seen before in the<br>> SRC_vectpratt programs (please see the " compile_SRC_vecpratt.txt"<br>
> attached). <br>> <br>> It only seems a warning not a real error!. However, when I execute the<br>> TiC-example of the Wien2k-guide (just to calibrate the software<br>> installation) I cannot pass-through the initialization process, as usually<br>
> done. <br>> <br>> As expected, it stops at x lstart program showing me up the next warning:<br>> <br>> --------------------------------------------------------------------------<br>> Invalid null command.<br>
> SELECT XCPOT:<br>> recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)<br>> 5: LSDA<br>> 11: WC-GGA (Wu-Cohen 2006)<br>> 19: PBEsol-GGA (Perdew etal. 2008)<br>
> <br>> SELECT ENERGY to separate core and valence states:<br>> recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)<br>> ALTERNATIVELY: specify charge localization<br>> (between 0.97 and 1.0) to select core state<br>
> <br>> <br>> WARNING: R0 for atom 1 Z= 22.00 too big<br>> <br>> forrtl: severe (71): integer divide by zero<br>> Image PC Routine Line Source<br>> <br>> lstart 080C20C9 Unknown Unknown Unknown<br>
> <br>> lstart 080561BC MAIN__ 136 lstart.f<br>> lstart 08049FA4 Unknown Unknown Unknown<br>> libc.so.6 4008BBD6 Unknown Unknown Unknown<br>
> lstart 08049EB1 Unknown Unknown Unknown<br>> <br>> 0.0u 0.0s 0:00.03 0.0% 0+0k 8+72io 0pf+0w<br>> error: command /usr/local/wien2k/lstart lstart.def failed<br>> --------------------------------------------------------------------------<br>
> <br>> So, the previous compiling warning must be a real error and apparently it<br>> affects to icc configuration and specifically to W2kutils.c program.<br>> <br>> Any idea about how fix the problem by using the icc compiler? <br>
> I ve sourced all variables compilers.<br>> I do not know if it works with other c-compiler but first I would like to<br>> use icc.<br>> <br>> Thanks for any comments.<br>> Sincerely,<br>> César de la Fuente. <br>
> <br>> <br></div>