[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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