[gmx-users] Problem of mdrun_d in CVS VERSION 3.3_beta_20050823

[David]

On Wed, 2005-08-24 at 23:37 +0800, xu yechun wrote:
> Dear users,
> 
>   I installed the CVS version(3.3_beta_20050823) with double precision. 
> When I use mdrun_d to produce the hessian matrix, the error information 
> comes like this:

message means you need more than 2Gb memory.

> 
> -------------------------------------------------------
> Program mdrun_d, VERSION 3.3_beta_20050823
> Source code file: smalloc.c, line: 113
> 
> Fatal error:
> calloc for full_matrix (nelem=269091216, elsize=8, file minimize.c, line 
> 1854)
> -------------------------------------------------------

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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