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

Claudio Saracini edta12001 at yahoo.it
Fri Sep 7 09:46:42 CET 2007


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 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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