[gmx-users] Ewald sum./Open BSD

[David]

On Wed, 2003-06-11 at 17:18, gmx at 4ka.mipt.ru wrote:
> some addons:
> with gdb i have the following
> 
> <skiped>
> 
> Back Off! I just backed up md.log to ./#md.log.2#
> Reading file topol.tpr, VERSION 3.1.4 (single precision)
> Reading file topol.tpr, VERSION 3.1.4 (single precision)
> 
> Back Off! I just backed up ener.edr to ./#ener.edr.2#
> starting mdrun 'Silica'
> 200000 steps,    200.0 ps.
> 
> 
> Program received signal SIGSEGV, Segmentation fault.
> 0x7a8ad in tabulate_eir ()
OK, that's useful information. Maybe you want to try to do the
following:
cd src/mdlib
rm ewald.o
gmake CFLAGS=-g
cd ../..
make install

I suspect it could be a compiler problem, but in case it is not (and the
problem can still be reproduced) you can get more debugging information
(at least in this file). 


> 
> 
> 
> On Wed, 11 Jun 2003 gmx at 4ka.mipt.ru wrote:
> 
> > >> ( so, now i dont use xtc formats for traj.)
> > >> Can it be the reason for crashing mdrun?
> >
> > >not likely., How  about fftw? did you compile yourself?
> >
> >  I have fftw-2.1.3 installed.
> >  I compiled it from ports .
> >
> > >
> > > VBut normal ewald doesn't use it. How about your math library? Does it
> > > have working erf and erfc?
> >
> >    It seems to work properly at first sight...
> >
> > <skiped>
> > 						lala
> >
> > _______________________________________________
> > gmx-users mailing list
> > gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> >
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++