[gmx-developers] Inconsistent force calculating result between generic kernel and interaction-specific kernel?

Mark Tianwu Zang zangtw at gmail.com
Sat Jun 8 01:44:50 CEST 2013

Dear all,
I have inserted only a few lines after update() in md.c to monitor how
forces change after every step. My codes are very simple, just like:

for i=0 to md->nalloc
 fprintf f[i][0], f[i][1], f[i][2]

However, I found the results of my output become quite different after
exporting GMX_NB_GENERIC=1, which means the forces calculated by generic
kernel and interaction-specific kernel are not the same. I am a little
confused now.. It this phenomena quite normal or I ignored something
Thanks a lot!
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