I just checked the full 12.1 again. I do see zfft3d.o as you say in the Makefile. I used siteconfig. I think my Makefile was replaced by Makefile.orig. I don't know who wrote fftw2/3. If you have to remove a file, I think you want to remove zfft3d.f and not zfft3d.F. I think zfft3d.F was the original file in Wien2k 11.1. zfft3d.f was probably an intermediate file used to help make the new fft module.
On 11/30/2012 5:43 PM, Laurence Marks wrote: > > Individual, downloaded (to check) ~20 mins ago. > > Do you know who wrote the ffftw2/3 interface, it does not look like > Peter's style. It has some entertaining matrix transformations which > are avoidable by changing the N1,N2,N3 order to N3,N2,N1. > > On Nov 30, 2012 6:21 PM, "Gavin Abo" <gsabo at crimson.ua.edu > <mailto:gsabo at crimson.ua.edu>> wrote: > > Full or individual package? Wien2k version? My previous response > assumed full 12.1. > > On 11/30/2012 5:09 PM, Laurence Marks wrote: >> To correct my earlier response, the current web version does have >> zfft3.o in the Makefile, and I believe zfft3.F should be removed. >> (I don't want to predict which version a fortran compiler will >> pick from zfft3.f and zfft3.F.) Peter, can you please confirm? >> >> -- >> Professor Laurence Marks >> Department of Materials Science and Engineering >> Northwestern University >> www.numis.northwestern.edu <http://www.numis.northwestern.edu> >> 1-847-491-3996 >> "Research is to see what everybody else has seen, and to think >> what nobody else has thought" >> Albert Szent-Gyorgi >> >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at >> zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121130/0e3d9e0a/attachment.htm>