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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20060511/5439c235/attachment.htm