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

[Ari P Seitsonen]

Dear Claudio,

   What _is_ the name of your fortran compiler?

# > make: fort: Command not found

Should it be 'gfortran' like in the Makefile for CPMD?

     Greeting from an edge of Paris,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   IMPMC, CNRS & Université Pierre et Marie Curie
   Tel: +33-1-4427 7542, Fax: +33-1-4427 3785, GSM: +33-6-6736 3820

On Fri, 7 Sep 2007, Claudio Saracini wrote:

> 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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