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.
