[CPMD-list] CPMD 3.11.1 compilation error

[Axel Kohlmeyer]

On Mon, 10 Dec 2007, Yirdaw, Robel Birru wrote:

RBY> Hello,

hello robel,

RBY> I have been trying to compile CPMD 3.11.1 but I get the following error:
RBY> 
RBY> rm -f shop_adds.f
RBY> /lib/cpp -P -C -traditional -D__Linux -D__PGI -D__GNU -DFFT_DEFAULT  
RBY> ./shop_adds.F ./shop_adds.f
RBY> gfortran  -c -fdefault-real-8 -O2 -fcray-pointer  ./shop_adds.f -o 
RBY> ./shop_adds.o
RBY> ./shop_adds.f:788.34:
RBY> 
RBY>       PARAMETER (UMASK=-2147483648, LMASK=2147483647)
RBY>                                  1
RBY> Error: Integer too big for its kind at (1)
RBY> make: *** [shop_adds.o] Error 1

the code seems correct to me, so it looks compiler bug (or something
else is wrong that is not related). 

you can try replacing the code with (which gives exactly the same on
multiple machines with various compilers.):

     PARAMETER (UMASK=HUGE(0)+1, LMASK=HUGE(0))

if that still does not work and if you don't intend to be running 
surface hopping (unlikely with the machine spec you are quoting),
just put in any (smaller) numbers that will make the code compile. 
this subroutinge is only used with surface hopping.

cheers,
   axel.

RBY> 
RBY> My machine is an Intel P4 with 1GB RAM running Ubuntu 7.10.  The fortran
RBY> compiler is gfortran 4.2.  I invoked the compile using the PC-GFORTRAN
RBY> platform.  If anyone has any feedback, I'd really apprecaite it.
RBY> 
RBY> Thank you,
RBY> -Robel
RBY> 
RBY> _______________________________________________
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RBY> CPMD-list at cpmd.org
RBY> http://cpmd.org/mailman/listinfo/cpmd-list
RBY> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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