[CPMD-list] Compilation of cpmd2cube

[Oleg Yazyev]

kiases> Dear Sir,

kiases> Thanks a lot for clarifying on the compilation part. 
kiases> I managed to compile the cpmd2cube by simply typing "make"
kiases> within the "cpmd2cube-v0.1.1" folder (with no changes made to
kiases> the cpmd2cube "Makefile").

kiases> Afterwhich, I've tried to convert the binary DENSITY
kiases> file generated from the h2o exercise (this is in order to
kiases> display the Kohn-Sham Orbitals), using the following command:

>> ./cpmd2cube DENSITY


Adrian,

try
./cpmd2cube -dens DENSITY


kiases> The following error message came out:

kiases> Illegal instruction (core dumped)

kiases> Why is this so?  The manual (S. 10.1.2) mentioned the
kiases> conversion of WANNIER files only, am I missing or
kiases> misinterpreting anything?  Thanks for your attention.


kiases> Adrian



-- 
Best regards,
 Oleg


______________________________________________________
Oleg Yazyev
Institute of Molecular and Biological Chemistry
Swiss Federal Institute of Technology in Lausanne (EPFL)
EPFL - BCH
CH-1015 Lausanne (Switzerland)
Tel.: +41 21 693 9881
E-mail: oleg.yazyev at epfl.ch
WWW: http://icmbcu001.epfl.ch/yazyev/index.html
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