[gmx-developers] rvec structure

Berk Hess hessb at mpip-mainz.mpg.de
Fri Jul 8 08:38:34 CEST 2005


Nathan Moore wrote:

>Fellows,
>
>Allright, I pulled the 1.8 version of mvxvf off of CVS, and copied teh
>guts of move_x and move_f into the 3.2 version of mvxvf.c with the
>following substitutions:
>        replace "nsb->nprocs" with "nsb->nnodes"
>        replace "nsb->pid" with "nsb->nodeid"
>        include mpi.h library
>
>Source is below.
>
>At present the code still core dumps because of a segmentation fault in
>the do_pbc_first->mk_mshift->mk_grey function chain.
>
>Any idea why this is?  I've changed nothing excepte the source file below.
>
>  
>
It seems strange to me that this modification would cause such an error.
With an unmodified mvxvf.c it does not segfault?

Berk.




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