[Bulk] [gmx-users] install GROMACS

Yang Ye leafyoung81-group at yahoo.com
Thu Dec 8 09:25:47 CET 2005


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
>>> *************************************************
> 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
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.

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

More information about the gromacs.org_gmx-users mailing list