<DIV>Hello All,</DIV>
<DIV>I am compiling Wien2k on an AMD II K6 with 3dnow, I have tried compiling with the mkl libraries, but I am receiving errors make 1 and 2 during the compilation. Do would you suggest I go with The atlas lib instead?</DIV>
<DIV> </DIV>
<DIV>Thank you for your time.<BR><BR><B><I>Peter Blaha <pblaha@theochem.tuwien.ac.at></I></B> wrote:</DIV>
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<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid; WIDTH: 100%">====<BR>Peter Blaha <PBLAHA@THEOCHEM.TUWIEN.AC.AT><BR>submitted the following contribution:<BR>====<BR><BR>> Thanks Ruben. As far as I can tell everything compiled fine. Maybe to<BR>> avoid problems in the future maybe a page on the website could be set<BR>> up, where known functioning compiler options for the various systems<BR>> could be uploaded so that people could check directly for working<BR>> settings, and or better setting than they've been using.<BR><BR>The default "ifc" options of siteconfig are pretty good. The only problem<BR>comes with the names of the BLAS-libraries.<BR><BR>I strongly recommend using the mkl library. Using -lblas_lapw you run 50%<BR>slower!!! Of course you have to know where the mkl is installed on your<BR>computer. (Free download from Intels www.intel.com)<BR>There are different versions of mkl and typical library names are<BR>-!
lmkl_p4,
-lmkl_p3 or -lmkl_ia32. Of course you can use the p4 library<BR>ONLY on a Pentium IV, NOT on an Athlon.<BR><BR>Since Intel is upgrading its ifc and mkl nearly every month and cleverly<BR>changes the names (and content) of the libraries frequently, it is difficult<BR>to setup a unique solution, and at the moment it requires that the user<BR>has some basic knowledge of "Programming".<BR><BR>> > I have compiled Wien2k in our AMD computer with ifc 7.1 and it works<BR>> > fine.<BR>> ><BR>> > Use the system option "I" (ifc) from siteconfig not G (GENERIC).<BR>> > I also use the following options (maybe they are not the best one):<BR>> ><BR>> > Compiler options: -FR -mp -w<BR>> > Linker Flags: -L../SRC_lib -Vaxlib -static<BR>> > Preprocessor flags '-DParallel<BR>> > R_LIB (LAPACK+BLAS): -llapack_lapw -lblas_lapw -llapack_lapw<BR>> > -lblas_lapw<BR><BR>Install the mkl for better
performance!<BR><BR>P.Blaha<BR>--------------------------------------------------------------------------<BR>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<BR>Phone: +43-1-58801-15671 FAX: +43-1-58801-15698<BR>Email: blaha@theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/<BR>--------------------------------------------------------------------------<BR><BR>====<BR>WIEN Mailing list: wien@zeus.theochem.tuwien.ac.at<BR>To (un)subscribe send mail to<BR>majordomo@zeus.theochem.tuwien.ac.at<BR>====</BLOCKQUOTE></DIV><p><hr SIZE=1>
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