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

xu yechun ycxu222 at hotmail.com
Thu Aug 25 09:21:27 CEST 2005

Dear David,

   Thank you very much for the answer. But the fact is that there is more 
than 2GB memory in the computer(128 CPU, SGI Origin3800). The top 
information show that there is about 33GB memory free. 

Best regards
Yechun Xu

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 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   

享用世界上最大的电子邮件系统― MSN Hotmail。  http://www.hotmail.com  

More information about the gromacs.org_gmx-users mailing list