It looks like all the problems you are seeing are because you have an obsolete set of vector routines in your ifort compiler. Two solutions:
a) Update your compiler (recommended). You have version 9.1 whereas the latest ifort is version 12.X b) Remove the "-DINTEL_VML" from your compilation options (in the file OPTIONS in $WIENROOT). You will need to go into siteconfig and change the compilation options so this goes to all the Makefile routines. You should then be able to compile lapw1/mixer/etc . They will be a bit slower, but should work. N.B., you cannot replace files in mixer with older versions as they do not exist! The mixer in 11.1 is quite different in some respects from earlier versions. 2011/5/2 ZhenChen <zchen at blem.ac.cn>: > Dear??Laurence?Marks and Peter Blaha, > Thank you very much for your kindly suggestions! > I repaced the c3fft subroutine by the one in wien2k_10.1 as you suggested > and recompiled lapw2. Then similar fortcom errors occured in the subroutine > gaunt.f. So I also replaced it by the older one, and then everything is OK! > As for the error in lapw1: > > hamilt.o(.text+0x419a):?In?function?`hamilt_': > :?undefined?reference?to?`vzcis_' > make[1]:?***?[lapw1]?Error?1 > > I also replaced the hamilt.f/o subroutine by the older one, and the error > disappeared. > The error measage?for?mixer? is: > > UnPackValues8.o(.text+0xb43):?In?function?`unpackvalues8_': > :?undefined?reference?to?`vdmul_' > make:?***?[mixer]?Error?1 > > In Wien2k_11, there are two different subroutines UnPackValues7 and > UnPackValues8, but there?is only one subroutine?UnPackValues in > Wien2k_10.1,?so I don't know how to solve this problem?????Do such errors > have?any?impacts on the running processes?? I can run the test case TiC > successfully! > I didn't come across?other subroutines envolved such errors?when?the newest > version is compiled?with intel-ifort?9.1 and mkl 8.1.? I?also eager to know > if such replacements with the older subroutines (only the subroutines c3fft, > gaunt, and hamilt) will influence the calculation results and/or lead to > some errors??? > > Finally, I noticed that the interface for ELNES simulations is still TELNES2 > and there are not telnes3 interface in the w2web. I have checked the files > in SRC_w2web/htdocs/exec, and only have telnes2.pl. There should?have > telnes3.pl or similar files for telnes3 in that fold, am I right??? > Any responses are highly appreciated! > > > 2011-05-02 > ??????PhD.?candidate,?Zhen Chen > ------------------------------ > Beijing?Laboratory?of?Electron?Microscopy > Institute?of?Physics > Chinese?Academy?of?Sciences > P.?O.?Box?603 > Beijing?100190,?China > Tel:?86-10-82648001 > ????????zchen at blem.ac.cn > >>From:?Peter?Blaha?<pblaha at theochem.tuwien.ac.at> >>Subject:?Re:?[Wien]?compile?wien2k_11.1?in?mkl8.1,?fortcom?error >>To:?A?Mailing?list?for?WIEN2k?users?<wien at zeus.theochem.tuwien.ac.at> >>Message-ID: >><Pine.LNX.4.58.1104221610080.20848 at susi.theochem.tuwien.ac.at> >>Content-Type:?text/plain;?charset="us-ascii" > >>I?include?a?couple?of?routines,?where?I?noticed?problem?with?very?old >>compilers.?I?concerns??the?use?of?functions?like?dsqrt?or?acos?in >>"parameter"?statements?as?well?as?some?subroutines?which?are?not >>included?in?old?mkl/vml?versions. >>You?can?replace?the?original?ones?by?them. >>PS:?The?list?of?subroutines?may?not?be?complete. >> > ?>????????????????????????????????????P.Blaha >>-------------------------------------------------------------------------- >>Peter?BLAHA,?Inst.f.?Materials?Chemistry,?TU?Vienna,?A-1060?Vienna >>Phone:?+43-1-58801-15671?????????????FAX:?+43-1-58801-15698 >>Email:?blaha at >>theochem.tuwien.ac.at????WWW:?http://info.tuwien.ac.at/theochem/ >>-------------------------------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi
