[Wien] join_vectorfiles to be used with a different syntax

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Aug 31 21:09:46 CEST 2020


Hi,

Yes, this internal comment is outdated (as there are several other 
comments in the fortran sources).

Always rely on the usersguide or    x progam-name -h

In any case, I'll remove it.

Regards
Am 31.08.2020 um 18:02 schrieb Luc Fruchter:
> I have tried to execute join_vectorfiles (source in SRC_trig) to 
> concatenate case.vector files from a parallel run, using the syntax as 
> given in the 'join_vectorfiles.f' fortran program:
> 
> '(x) join_vectorfiles [-up/-dn]   case   number_of_files'
> 
> This did not work, as the program tried to open 'case' file without any 
> extension.
> 
> Instead, I find that the command without arguments:
> 
> 'x join_vectorfiles [-up] [-so]'
> 
> from the case directory works well. In particular, using both the 
> options '-up' and '-so' correctly concatenates the case.vectorsoup_# 
> obtained from a SOC parallel computation.
> 
> Probably, one should modify the syntax in the 'usage' line of the 
> fortran program file, which seems to be no longer valid.
> 
> 
> 
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