[CPMD-list] cpmd2cube installation on linux (ubuntu)

[Claudio Saracini]

Hello, I copied from the Makefile of the CPMD program the following lines:

Makefile of the CPMD program, copied lines:

FFLAGS = -c -fdefault-real-8 -O2 -fcray-pointer 
  LFLAGS = -L/usr/lib/atlas  -llapack -lblas 
  C = gcc 
  FC = gfortran 
  LD = gfortran 
  AR = ar


I pasted these lines in the cpmd2cube Makefile after a Linux-Alpha compilation. Digiting "make" from the shell I installed the cpmd2cube program. Then I tried to use it to open one of the output files from a CPMD calculation. I copied two files, "DENSITY" and "ELF" in the same directory of the "cpmd2cube.x" file and then I digited "./cpmd2cube.x DENSITY" from the shell. I obtained the following line:

STOP no interface to getarg for this platform: please add it to util.F.

Does anybody know what's the problem? Thank you.
Claudio.




MY ORIGINAL MESSAGE:
Claudio Saracini <edta12001 at yahoo.it> ha scritto: Hello, my pc is an Intel Dual Core 3GHz with a Ubuntu Linux OS. I just installed CPMD program using a PC-GFORTRAN configuration. The Makefile looks like this:
   
  #----------------------------------------------------------------------------
  # Makefile for cpmd.x (plane wave electronic calculation)
  # Configuration: PC-GFORTRAN
  # Creation of Makefile: set 2 2007
  # on Linux claudio-desktop 2.6.20-16-generic #2 SMP Fri Aug 31 00:55:27 UTC 2007 i686 GNU/Linux
  # Author: claudio
  #----------------------------------------------------------------------------
  #
  SHELL = /bin/sh
  #
  #--------------- Default Configuration for PC-GFORTRAN ---------------
  SRC = .
  DEST = .
  BIN = .
  FFLAGS = -c -fdefault-real-8 -O2 -fcray-pointer 
  LFLAGS = -L/usr/lib/atlas  -llapack -lblas 
  CFLAGS = -c -O2 -Wall
  CPP = /lib/cpp -P -C -traditional
  CPPFLAGS = -D__Linux -D__PGI -D__GNU -DFFT_DEFAULT 
  NOOPT_FLAG = 
  CC = gcc 
  FC = gfortran 
  LD = gfortran 
  AR = ar
  #----------------------------------------------------------------------------
  # Personal Configuration
  #----------------------------------------------------------------------------
  #----------------------------------------------------------------------------
  # End of Personal Configuration
  #----------------------------------------------------------------------------
  CFGDEST = .
  CFGMACH = PC-GFORTRAN
  CFGQMMM = 
   
  The CPMD program installation was good.
  I'm trying to install cpmd2cube program now. I compiled cpmd2cube using a Linux-Alpha  configuration (I don't know if it's the correct one configuration for my system) and I created the corrispondent Makefile. It looks like this:
   
  #-----------------------------------------------------------------------------#
  # Makefile for cpmd2cube.x
  # Configuration: Linux-Alpha
  # Creation of Makefile: set 6 2007
  # on Linux claudio-desktop 2.6.20-16-generic #2 SMP Fri Aug 31 00:55:27 UTC 2007 i686 GNU/Linux
  # Author: claudio
  #----------------------------------------------------------------------------
  #
  SHELL = /bin/sh
  #
  #--------------- Configuration
  FC = fort
  FFLAGS = -O -D__alpha -DFFT_DEFAULT -free
  LFLAGS = -O
  LIBS = 
  # uncomment and set only if needed
  #CC = cc
  #CFLAGS = 
  #--------------- End of  Configuration
  ##############
  EXE = cpmd2cube.x
  OBJECTS = \
  kinds.o periodic_table.o util.o grids.o cpmd2cube.o \
  main.o grid_types.o atom_types.o readwrites.o \
  fftsg_lib.o fft_tools.o fftsg.o
  CFGDEST = .
  CFGMACH = Linux-Alpha
  SRC=.
  #############################
   
  I known that I had to change FFLAGS and LFLAGS parts in a way similar to the Makefile of CPMD program installation and so I copied the corrispondent lines from Makefile of the CPMD program to the Makefile of the cpmd2cube program. Anyway, when I digited "sudo make" from the shell I recived an error:

make: fort: Command not found
make: *** [kinds.o] Error 127


   
  I know that Makefile of the CPMD program is in fortran 77 while Makefile of cpmd2cube program is in fortran 90, so there are some  differences to take in to account to modify the second Makefile using the first one, but I don't know the languages. Somebody could help me to solve this problem? Thank you.
                                                                                                  
                                                                                                  Claudio


            

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