Prof Blaha, Thank for your reply When I ran the "siteconfig" it would run without stoping not allowing me to compile the program, but now it does stop and it allows me to compile
But there is something wrong in my computer in the earlier 17.1 version I try to run a system and it stops just after LAPW0; ---------------------------------- [pablo@delamora Na-prueb]$ run LAPW0 END SECLR4 - Error grep: lapw2*.error: No such file or directory > stop error [pablo@delamora Na-prueb]$ more lapw1.error Cholesky INFO = 87 'SECLR4' - POTRF (Scalapack/LAPACK) failed. [pablo@delamora Na-prueb]$ -------------------------------------- So what are these errors? It seems that Scalapack/LAPACK has been corrupted Pablo ________________________________ De: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de Peter Blaha <peter.bl...@tuwien.ac.at> Enviado: martes, 7 de marzo de 2023 06:13 a. m. Para: wien@zeus.theochem.tuwien.ac.at <wien@zeus.theochem.tuwien.ac.at> Asunto: Re: [Wien] compiling the WIEN2k 23.1 version > I downloaded the WIEN2k 23.1 version > I followed the instructions > > ...... > > ./expand_lapw > > .siteconfig_lapw -update ../WIEN2k-21.1/ > > but I did not compile it > so I restarted the procedure from the begining and when I came to this > last command > > .siteconfig_lapw -update ../WIEN2k-21.1/ > > it was executed in one step, but I could not compile the program > So my question is how I compile it ????? You should come into the main menue of siteconfig. Then just press R (compile/recompile). Make sure that ../WIEN2k-21.1 still contains proper WIEN2k_* configuration files. > > Pablo > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 Email: peter.bl...@tuwien.ac.at WIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at ------------------------------------------------------------------------- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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