AMBER Archive (2004)

Subject: AMBER: Running on MPI

From: wish_71 (wish_71_at_sina.com)
Date: Sun Oct 03 2004 - 20:59:58 CDT

Hi, Dear all amber users,

Recently, I installed AMBER7 in 32-CPU PC-cluster in the Red Hat Linux system.

The correct running format of Sander is as following???

mpirun -np 4 sander -O -i md.in -o md.out -p md.top -c md.crd -r md.restrt -ref md.crd

When I input above words, the sander does not work? Then how about the correct running format?

Looking forward to any help!

Thanks a lot in advance!

Best wishes,

Wu Yingliang
　　　　　　　
2004-10-04
=======================================
College of Life Science
Wuhan Univeristy
Wuhan, China
Email: wish_71_at_sina.com
=======================================
______________________________________

注册新浪免费邮箱，激活1G空间！（ http://mail.sina.com.cn/chooseMode.html ）

===================================================================
经典HP nx9040超强性能，突破万元底限！ (http://ad4.sina.com.cn/wx/ads/zhuiyu_hprefresh1.html)
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu