[Pw_forum] Error running pw.x
Erik Ylvisaker
eylvisaker at physics.ucdavis.edu
Fri May 12 00:46:30 CEST 2006
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
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