[gmx-users] Arithmetic exception: tabscale=0 (again)

[David]

On Wed, 2003-04-30 at 20:16, Lianqing Zheng wrote:
> Dear Gromacs pals:
> 
> Inspired by the discussion on Ewald summation, I turned on mdrun -debug
> and checked out my .log file. Its last sereval lines are:
> "
> Nodeid   index  homenr  cgload  workload
>      0       0    1536    1536      1536
> 
> Max number of bonds per atom is 0
> Table routines are used for coulomb: TRUE
> Table routines are used for vdw:     FALSE
> Using a Gaussian width (1/beta) of 0.389284 nm for Ewald
> Cut-off's:   NS: 1.21589   Coulomb: 1.21589   BHAM: 1.21589
> Determining largest Buckingham b parameter for table
> Buckingham b parameters, min: 0, max: 48.7318
> Generated table with 500 data points for COUL.
> Tabscale = 500 points/nm
> Generated table with 500 data points for LJ6.
> Tabscale = 500 points/nm
> "
> 
> The potential I used is a Buckingham plus Coulomb. Do you know why
> tabscale became zero in my case? Thanks! The version I use is 3.0.5.
> 
Please upgrade first... We have no time/energy to support old versions
of the code.

> Lianqing
> 
> 
> On Thu, 10 Apr 2003, Lianqing Zheng wrote:
> 
> >Dear Gromacs pals:
> >
> >I'm trying to simulate a silica (SiO2) system with 1536 atoms and initial
> >configuration of beta-cristobalite. However I got an error of arithmetic
> >exception before the first step was completed. The reason was found to the
> >zero value of "tabscale" in init_table() in tables.c:
> >
> >	td->x[i] = i/tabscale;
> >
> >I don't understand what is this table for. Could you please help me with
> >this? I can email you any files I used if you need them.
> >
> >Thanks!!
> >
> >Lianqing
> >
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> 
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-- 
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
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