[gmx-developers] rvec structure

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

Nathan Moore wrote:

>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?


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