[Pw_forum] Recent CVS - problems on SGI

Paolo Giannozzi giannozz at nest.sns.it
Tue Feb 17 10:48:43 CET 2004

On Saturday 14 February 2004 23:26, Konstantin Kudin wrote:

>  I am trying to build the whole O-sesame thing
> downloaded on Feb. 13 on an SGI Origin, and getting
> the following error [...]
>  Procedure "CHECK_CONSTRAIN" is referenced at line
> 195 (move_ions.f90).  It must have an explicit
> interface specified.

the only thing I can think of is that (your version of) the sgi 
compiler doesn't like passing arguments as in the following:

   subroutine something (somearray)
   type_of_array :: somearray(:)

without an explicit interface. The Intel compiler doesn't
complain, but it doesn't work either. Maybe it is just plain
wrong. I have changed the way arguments are passed, 
can you please try again?

BTW: the routine "check_constrain" MUST be adapted 
to the constrain you desire: right now it keeps the distance
of the first two atoms fixed.

> P.S. The new "configure" procedure is quite cool!

I agree, but the difficult part is configuring "configure" !

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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