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 -- 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
