Axel, Thanks for the quick reply! That fix worked.
~Erik ----- Original Message ----- From: "Axel Kohlmeyer" <[email protected]> To: <pw_forum at pwscf.org> Sent: Thursday, May 11, 2006 4:06 PM Subject: Re: [Pw_forum] Error running pw.x > On 5/11/06, Erik Ylvisaker <eylvisaker at physics.ucdavis.edu> wrote: > > erik, > > this is a (well) known problem. please check out the manual or the > following URL: > http://www.democritos.it/pipermail/pw_forum/2006-February/003662.html > > regards, > axel. >> >> Hi, I am trying to run pw on an Intel Itanium system. I was able to >> compile >> it without errors, but when I run it I get the following message: >> >> ################## >> nbndx = 7 nbnd = 7 natomwfc = 16 npwx = 736 >> nelec = 5.00 nkb = 13 ngl = 92 >> >> Initial potential from superposition of free atoms >> >> starting charge 4.99685, renormalised to 5.00000 >> Starting wfc are atomic >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> from cfts_3 : error # 1 >> routine called by wrong architecture >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> stopping ... >> ################## >> >> >> from looking at the cfts_3.f90 file this routine is apparently meant for >> IBM : essl library or NEC sx4/5: GPFA library. Does anyone know what I >> need >> to modify in the make.sys (or another?) file to get it to not include >> this >> file? >> >> I tried removing the compile flag -D__USE_INTERNAL_FFTW but that gave an >> error on an #include <fftw.h> line. Also __LINUX64 is defined, which I >> think is correct. >> >> ~Erik Ylvisaker >> >> > > > -- > ======================================================================= > Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu > Center for Molecular Modeling -- University of Pennsylvania > Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 > tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 > ======================================================================= > If you make something idiot-proof, the universe creates a better idiot. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
