|From:||Xiaoyu Wang <xwang181@...5818...>|
|Date:||Wed, 20 Sep 2017 13:44:05 -0500|
I tried to use GPU package with pair style hybrid. Some of them are using buck/coul/long/gpu and some of them are using lj/cut/coul/long/gpu. But I received the error:
ERROR: Pair coeff for hybrid has invalid style (../pair_hybrid.cpp:393)
Then I tried to use intel and gpu package together, but it seems that intel does not support pair_style hybrid either. So can some one recommend me the best way to accelerate my script or what kind of packages should I build and how to write the script to use both GPU and CPU.
I will appreciate your help. Thanks!
This is what I wrote in my script regarding the acceleration part.
package gpu 1 neigh no
package intel 18
pair_style hybrid buck/coul/long/gpu 12.0 lj/cut/coul/long/gpu 12.0
pair_coeff 1 1 lj/cut/coul/long/gpu 0.5000 3.40
pair_coeff 2 2 lj/cut/coul/long/gpu 0.3000 2.40
pair_coeff 3 3 buck/coul/long/gpu 31532.571 0.2899 0