[CPMD-list] CPMD-list Digest, Vol 45, Issue 2

[Axel Kohlmeyer]

On Tue, 8 Jan 2008, oksana ismailova wrote:

OI> Dear cpmd users and experts!

dear oksana,

OI> I have problem with cpmd2cube .
OI> 
OI> After installation,  I tried to use cpmd2cube
OI> 
OI> 
OI> cpmd2cube.x -dens DENSITY
OI> 
OI> STOP no interface to getarg for this platform: please add it to util.F.

this is not consistent with the makefile you are quoting below.
try doing a "make clean; make" to recompile everything and then
use the _absolute_ path to cpmd2cube.x, you could have a different
version installed somewhere in your path... check out the result of:
which cpmd2cube.x

OI> I have looked in archive CPMD mailing list to fix this problem, but without
OI> success.

it is likely that you have made changes (e.g. to the makefile)
that are not (yet) reflected in the makefile or that you are
actually not running the executable that you have compiled.

OI> 
OI> I will be appreciated if you give me idea to solve this problem.

... and i hope that _i_ will be appreciated, if you manage
to solve this problem. ;-)

(sorry, cheap shot, but i could not resist...).

cheers,
   axel.

OI> 
OI> 
OI> 
OI> thanks,
OI> best regards,
OI> oksana
OI> 
OI> 
OI> Makefile is:
OI> 
OI> # Makefile for cpmd2cube.x
OI> # Configuration: Linux-PC-GFORTRAN
OI> # Creation of Makefile: Jan  7 2008
OI> # on Linux hermes 2.6.18.8-0.7-default #1 SMP Tue Oct 2 17:21:08 UTC 
OI> 2007 x86_64 x86_64 x86_64 GNU/Linux
OI> #Author: oksanai
OI> #----------------------------------------------------------------------------
OI> #
OI> SHELL = /bin/sh
OI> #
OI> #--------------- Configuration
OI> FC      = gfortran
OI> FFLAGS  =  -ffree-form -DFFT_DEFAULT -std=gnu -O2 -D__GFORTRAN
OI> LFLAGS  =
OI> LIBS    =
OI> #uncomment and set only if needed
OI> #CC     = cc
OI> #CFLAGS =
OI> #--------------- End of Configuration
OI> ##############
OI> 
OI> EXE     = cpmd2cube.x
OI> 
OI> OBJECTS = \
OI>    kinds.o periodic_table.o util.o grids.o cpmd2cube.o \
OI>    grid_types.o atom_types.o readwrites.o \
OI>    fftsg_lib.o fft_tools.o fftsg.o
OI> 
OI> CFGDEST = .
OI> CFGMACH = Linux-PC-GFORTRAN
OI> SRC=.
OI> 
OI> #############################
OI> 
OI> all:  $(EXE) trimcube cutcube.x
OI> 
OI> $(EXE): main.o $(OBJECTS)
OI>         $(FC) -o $(EXE) $(LFLAGS) main.o $(OBJECTS) $(LIBS)
OI> 
OI> cutcube.x: cutcube.o $(OBJECTS)
OI>         $(FC) -o $@ $(LFLAGS) cutcube.o $(OBJECTS) $(LIBS)
OI> 
OI> trimcube: trimcube.o
OI>        $(CC) $(CFLAGS) -o $@ trimcube.o
OI> #############################
OI> 
OI> 
OI> util.F is
OI> 
OI> 
OI> MODULE util
OI> 
OI>  USE kinds, ONLY : dbl
OI> 
OI>  IMPLICIT NONE
OI> 
OI>  PRIVATE
OI>  PUBLIC :: quicksort, my_getarg, file_exists, wstrlen
OI> 
OI> CONTAINS
OI> 
OI> ! ----------------------------------------------------------------------
OI>  SUBROUTINE my_getarg(m,string)
OI>    IMPLICIT NONE
OI>    INTEGER:: M
OI>    CHARACTER(len=*) :: STRING
OI> 
OI> #if defined ( __AIX ) || defined ( __SR8000 ) || defined ( __SR11000 ) \
OI> | | defined ( __IFC ) || defined ( __NEC )    || defined ( __SGI ) \
OI> | | defined ( __VPP5000 ) || defined ( __alpha ) || defined(__SUN) \
OI> | | defined(__HP) || defined ( __OSX ) || defined ( __ALTIX )      \
OI> | | defined ( __PGI ) || defined(__PWRLinux)
OI>    CALL GETARG(M,STRING)
OI> #elif defined ( __T3E )
OI>    INTEGER :: ilen, ierror
OI> 
OI>    CALL pxfgetarg(m,string,ilen,ierror)
OI> #elif defined (__GFORTRAN)
OI>    CALL GET_COMMAND_ARGUMENT(M,STRING)
OI> #else
OI>    CALL getarg(m,string)
OI>    !STOP 'no interface to getarg for this platform: please add it to 
OI> util.F.'
OI> #endif
OI> 
OI>    RETURN
OI>  END SUBROUTINE my_getarg
OI> ! ----------------------------------------------------------------------
OI> 
OI> ! ----------------------------------------------------------------------
OI>  FUNCTION file_exists(name)
OI>    IMPLICIT NONE
OI>    LOGICAL:: file_exists
OI>    CHARACTER(len=*) :: name
OI> 
OI>    INQUIRE(file=name,exist=file_exists)
OI> 
OI>    RETURN
OI>  END FUNCTION file_exists
OI> ! ----------------------------------------------------------------------
OI> 
OI> 
OI> 

-- 
=======================================================================
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
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.