[CPMD-list] [Fwd: segmentation fault]

[Axel Kohlmeyer]

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


SA> hi,
SA>     i have compiled cpmd versions 3.5.3 and 3.7.2 on a PC under linux.
SA> on runnind cpmd.x i get a segmentation fault with a core dump.
SA> is this because of RAM.i have 256/512 Mb RAM.the input file.
SA>     the input file is enclosed.
SA>     s.auluck

hello prof. auluck,

your input file works fine for me with various versions of cpmd on linux.
the memory requirement of that job is about 5MB, so memory cannot
be the problem. how did you compile your executable, i.e. what compiler,
what libraries and what platform/cpu do you use?
does your executable crashe before you get any output?

best,
        axel kohlmeyer.

p.s.: you may want to use PGC MINIMIZE in your example as this
converges the wavefunction much quicker in this case. <g>.

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> ****************************************************************************

--

=======================================================================
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.