[CPMD-list] Re: compilation troubles....

[Axel Kohlmeyer]

>>> "SA" == sushil auluck <aulucfph at iitr.ernet.in> writes:

SA> hi,
SA> as a lot of new users of cpmd have problems in compiling, it might be a good
SA> idea if someone OR cpmd.org put up the compiled versions on the net.at least
SA> for the linux version this ought not to be a big problem.also compiled 
SA> versions
SA> for other OS's should also be posted on the cpmd.org site........
SA> s.auluck

dear professor auluck,

this is not as easy as it seems:

a) as far as i understand the license of cpmd, it is not allowed
to distribute cpmd unless it is done via the cpmd.org website.
i have offered repeatedly to provide linux binaries, but got 
no response.

b) except for testing and learning purposes, you want to have 
an executable that is maximally optimized for your platform. 
there are far too many different and sometimes incompatible 
linux installations currently in use, so that providing binaries
for all of them would become a huge task. for serial executables
this can be circumvented by static linking, but for parallel
executables one always needs to link to the mpi library, that
is locally installed.

i have put a discussion (and some suggestions for solutions)
of some of the common problems in compiling cpmd online at:
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-linux.html

i take this opportunity to repeat my offer to provide statically linked 
linux cpmd binaries for the cpmd.org download area.

hope this helps,
     axel kohlmeyer.

SA> -- 
SA> ****************************************************************************
SA>   Prof. Sushil Auluck			Phone: +91-1332-274075(Home)        
SA>   Department of Physics			       +91-1332-285010(Home)    	
SA>   Indian Institute of Technology               +91-1332-285745(Work)	
SA>   Roorkee 247 667 Uttranchal		Fax:   +91-1332-273560           
SA>   India					e-mail: aulucfph at iitr.ernet.in   
SA>      						sushilauluck at yahoo.co.in
SA> http://www.iitr.ernet.in/acads/depts/physics/faculty/facthtml/aulucfph.shtml
SA> ****************************************************************************


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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.