[Pw_forum] Recent CVS - problems on SGI

[Konstantin Kudin]

--- Paolo Giannozzi <giannozz at nest.sns.it> wrote:

> 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?

 Dear Paolo,

 Thanks for suggestions!

 I just downloaded the CVS, but it does not compile,
there are errors (see below). Anyway, yesterday after
staring at the thing for an hour and finding nothing
obviously wrong I did try the very same thing you are
suggesting - removed the input arguments to
check_constrain and instead got them from the module.
This approach worked. The program went through and
appears to work as intended. I have not tried a
compile on SGI yet. 

 BTW, the SGI compiler is quite developer friendly -
it spots problems earlier than other compilers, and by
default (no extra options at all!) the "core" files
contain the stack trace of the moment when the program
crashed such as it is easy to get the crash point.


> 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.

 Yeah, I did do that. I do read manuals from time to
time :-) While we are on the subject, is there some
easy way to pass options to internal routines via the
input commands? I would rather have an input
switch(es) to setup the constraints than deal with an
extra input file, or, worse, differently compiled
versions.

 Kostya

*** Current CVS problem

ifc -Vaxlib -O2 -tpp6 -align -Zp8 -axK -ipo -ipo_obj
-I. -I/home/kostya/Sesame/ver05/O-sesame/include
-I/home/kostya/Sesame/ver05/O-sesame/Modules
-I/home/kostya/Sesame/ver05/O-sesame/PW
-I/home/kostya/Sesame/ver05/O-sesame/PH  -nomodule
-fpp -D__LINUX -D__INTEL -D__FFTW  -c input.f90
   external subroutine IOSYS
                                                      
                         
                               edir, emaxpos, eopreg,
eamp, starting_ns_eigenvalue, &
                                                      
     ^
Error 208 at (145:input.f90) : No such entity in the
module
Error 355 : In program unit IOSYS variable
STARTING_NS_EIGENVALUE has not been given a type
   external subroutine READ_CARDS




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