[Bulk] [gmx-users] install GROMACS

[Yang Ye]

Hi,

You need to have parallel environment:

Two parts:
1. parallel library, e.g. LAM-MPI, MPICH
2. job dispatch system, e.g. PBS.

These software ware free but building such environment needs a bit
expertise. After installing the parallel environment, you may compile
parallel-version Gromacs according to the online instructions. You may
write to me personally if you still find puzzled.

Yang Ye

主月 ：） wrote:

> Hi:
> Just now i've installed GROMACS with default setting.but in fact it is
> used in a cluster. I want to know whether defualt setting can do
> parallel computing? Or i should to install it with "./configure
> --enable-mpi"
> Thanks a lot../configure
>
> 祝
> 好
> *************************************************
> Ji Qing（吉青）
> Institute of Chemistry, Chinese Academy of Sciences
> （中科院化学所）
> Tel: 0086-10-62562894 ，82618423
> *************************************************
>
>------------------------------------------------------------------------
>
>_______________________________________________
>gmx-users mailing list
>gmx-users at gromacs.org
>http://www.gromacs.org/mailman/listinfo/gmx-users
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.
>

-- 
/Regards,/
Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Singapore
Tel: 6316-2884
/