The ABINIT Users Mailing List ( CLOSED )

[ihouzf@sina.com]

I will describe the steps in detail:
firstly, install the mpi
1). download mpich from the web(http://www-unix.mcs.anl.gov/mpi/mpich/)
http://www-unix.mcs.anl.gov/mpi/mpich/downloads/mpich.tar.gz

2). decompress the mpich.tar.gz,use the command:
   tar -xzvf mpich.tar.gz
   then you will get the directory 'mpich-1.2.5.2', next command
   cd mpich-1.2.5.2
   ./configure -prefix=/usr/local/mpi -fc="pgf90 -Mx,119,0x200000" 
-f90="pgf90 -Mx,119,0x200000" -opt=-O
    make install
    make
    (I assume that the mpi will be installed to the directory 
'/usr/local/mpi')
3). add /usr/local/mpi/bin to $PATH
    edit .bashrc or .bash_profile (because I use the bash, not csh), and add 
one line like that:
    export PATH=$PATH:.:/usr/local/mpi/bin:/home/xxxx
   (xxxx is your username)
    if one use as root, just like that:
    export PATH=$PATH:.:/usr/local/mpi/bin:/root
    then make it take effect,use the command:
    source .bashrc or . .bash_profile     

secondly, complie abinip
1). get the latest preferred production version like 4.2.4(For all platforms 
: sources and complete tests )
ftp://ftp.abinit.org/pub/abinitio/ABINIT_v4.2.4/src_tests_4.2.4.tar.gz

2). prepare the files: makefile_macros and mpif.h
(Now I must stress that the file 'mpif.h.mpichF90' in the directory of 
'Machine_dept_files/Intel_P6/' is too old. In this 'mpif.h.mpichF9' the 
MPI_OFFSET_KIND isn't defined. However in the file 'defs_xderive.f' at 
'Src_8seqpar' directory, MPI_OFFSET_KIND will be used. To avoid some errores 
occuring, one should use the 'mpif.h' in the directory 
'/usr/local/mpi/include'.
So I recommend that when the next version of abinit is released, the file 
'mpif.h.mpichF90' should be replaced the latest 'mpif.h' in the latest 
version of mpich.)
the commands just as:
ln -s Machine_dept_files/Intel_P6/makefile_macros.PGI_MPICH makefile_macros
cp /usr/local/mpi/include/mpif.h  mpif.h

3). make abinip
    OK!
4). test
    OK!
good luck!

**************************************************
Zhu-feng  Hou
P.O.Box1169#
Physics Department 
Xiamen University
Xiamen,361005
P.R.China 
Tel:+86-592-2194744
E-mail:zhufhou@yahoo.com
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