[gmx-users] Fatal error: ci = -2147483616 should be in 0 ...

Peter C. Lai sirmoo at cowbert.2y.net
Wed Jan 15 17:21:15 CET 2003


afaik, Athlon/Duron class chips work fine. I'm not surprised,
since it appears that K6 chips have first/second generation 3DNow implementations
that don't play nice with gromacs 3DNow code (which afaik has been deprecated
in favor of SSE anyway). Any devs want to correct me if I'm wrong on this
speculation? 
In any case, it appears that people on this mailing list
have used gromacs successfully with Athlon in default software configurations.

On Wed, Jan 15, 2003 at 10:28:06AM +0200, Itamar Kass wrote:
>    Dear Peter, yes the broken machine is AMD k and the working one is PIII. So I
> guess I will have to shut down the x86 optimizations (I am learning gromacs now,
> I can spend the time).  Do you know if the problem happens in newer AMD chips? 
> We intend to buy a small cluster for runing gromacs.
> Quoting "Peter C. Lai" <sirmoo at cowbert.2y.net>:
> 
> > What kind of machine are you running on (architecture etc?) -
> > is the broken machine the same configuration as the working one?
> > Back in the day, I ran into this when I compiled 3.1.4 on AMD K6-2 with x86 
> > optimizations turned on. It worked when i turned off those optimizations, but
> > 
> > the resulting runs ended up too slow, and I have only been using gromacs for
> > 
> > smaller simulations.
> > 
> > On Tue, Jan 14, 2003 at 10:23:55PM +0200, Itamar Kass wrote:
> > >    HI all, I still have the error "Fatal error: ci = -2147483616 should be
> > in 0
> > > . 159 [FILE nsgrid.c, LINE 210]" when using mdrun.  In order to be sure I
> > > correctly installed gromacs, I reinstalled Mandrake 9.0, then installed
> > > fftw-2.1.3-2.i386.rpm, fftw-devel-2.1.3-2.i386.rpm and
> > gromacs-3.1.4-1.i386.rpm.
> > >  Even then the problem happens again.  Does someone know how to over come
> > it, I
> > > have other Mandrake 9.0 machine, and it does not happen there,    Thanks,
> > Kass.
> > > 
> > > 
> > > Quoting David <spoel at xray.bmc.uu.se>:
> > > 
> > > > On Tue, 2003-01-14 at 14:02, Itamar Kass wrote:
> > > > >    Hi David, yes, I compiled both singel and double fftw, so I removed
> > them
> > > > and
> > > > >  reinstall them from rpm this time, but again I got the same message.
> > > > The question is not what you compiled, but what you are using. The OS
> > > > may come with fftw installed. Try:
> > > > ldd `which mdrun`
> > > > to see which libraries are used.
> > > > 
> > > > If all is installed well the demo should run though...
> > > > -- 
> > > > Groeten, David.
> > > > ________________________________________________________________________
> > > > Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
> > > > Husargatan 3, Box 576,  	75123 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
> > > > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> > > > _______________________________________________
> > > > 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.
> > > > 
> > > > 
> > > 
> > > 
> > > ===========================================
> > > | Itamar Kass
> > > | The Alexander Silberman
> > > | Institute of Life Sciences
> > > | Department of Biological Chemistry
> > > | The Hebrew University, Givat-Ram
> > > | Jerusalem, 91904, Israel
> > > | Tel: +972-(0)2-6585146
> > > | Fax: +972-(0)2-6584329
> > > | Email: ikass at vms.huji.ac.il
> > > | Group Homepage: http://www.ls.huji.ac.il/~membranelab/
> > > ============================================
> > > 
> > > _______________________________________________
> > > 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.
> > 
> > -- 
> > Peter C. Lai
> > University of Connecticut
> > Dept. of Molecular and Cell Biology
> > Yale University School of Medicine
> > SenseLab | Research Assistant
> > http://cowbert.2y.net/
> > 
> > _______________________________________________
> > 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.
> > 
> > 
> 
> 
> ===========================================
> | Itamar Kass
> | The Alexander Silberman
> | Institute of Life Sciences
> | Department of Biological Chemistry
> | The Hebrew University, Givat-Ram
> | Jerusalem, 91904, Israel
> | Tel: +972-(0)2-6585146
> | Fax: +972-(0)2-6584329
> | Email: ikass at vms.huji.ac.il
> | Group Homepage: http://www.ls.huji.ac.il/~membranelab/
> ============================================
> 
> _______________________________________________
> 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.

-- 
Peter C. Lai
University of Connecticut
Dept. of Molecular and Cell Biology
Yale University School of Medicine
SenseLab | Research Assistant
http://cowbert.2y.net/




More information about the gromacs.org_gmx-users mailing list