[CPMD-list] New user!

[Axel Kohlmeyer]

>>> "DP" == Dua Piyush <duaphdph at iitr.ernet.in> writes:


DP> Hi every body,

DP> 	I am a new user of CPMD code.
	
DP> 	I have a problem with the installation of the code.

DP> 	I was trying to install CPMD in "Pentium IV machine"
DP> 	with "RED HAT Linux 9". I am having a RAM of 256 MB
DP> 	and processor 1.5 GH.

DP> 	First, I tried the option "Configure" as given in the manual
DP> 	but it is not working.


please tell us the error message, that you are seing or give a 
decription of _what_ is not working.

on a (redhat) linux machine you'd usually run the configure 
command as:

        ./Configure PC-IFC > Makefile
        
or 

        ./Configure PC-PGI > Makefile

depending on whether you have the PGI compiler or the
intel fortran compiler installed.

after that you usually have to adapt the LFLAGS 
and sometimes also the FFLAGS definition in 
the Makefile to match your system, especially where
to find the BLAS/LAPACK libraries and then run 

        make

to compile the cpmd executable.

some further help on how to compile and optimize cpmd on
linux machines is at:
<http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-linux.html>
       
DP> 	I tried this option in all the available shells, still it is
DP> 	not working.

this has nothing to do with a shell. my guess is, that you
typed 'Configure' instead of './Configure'.
contrary to DOS/Windows, on unix machines the current working
directory is not in the search path for executables (for
good security reasons), let alone the first entry.

hope this helps,
     axel.

DP> 	Can any body tell me what is happening wrong with the procedure.

DP> 	With regards,

DP> 	Piyush Dua



DP> 	*************************************************
DP> 	Piyush Dua
DP> 	Physics Department,
DP> 	Indian Institute of Technology, Roorkee,
DP> 	Uttaranchal - 247667, INDIA.
DP> 	Ph.:	+91 1332 284348
DP> 		+91 1332 284413
DP> 	Mob.	+91 98373 76893
DP> 	Fax.	+91 1332 273560
DP> 	Other Mail id's:
DP> 	piyush_dua at yahoo.co.in
DP> 	piyush_dua at rediffmail.com
DP> 	My web page:
DP> 	http://www.geocities.com/piyush_dua/pdua_page.html
DP> 	**************************************************

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--

=======================================================================
Axel Kohlmeyer       e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.