it would be much easier to help if you tell us exactly what sander does
and if you get any error message or output file.
does the single processor (non-mpi) sander work?
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling.stonybrook.edu
===================================================================
wish_71 wrote:
>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.sina.com
>=======================================
>______________________________________
>
>ע������������䣬����1G�ռ䣡�� http://mail.sina..com.cn/chooseMode.html ��
>
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Received on Mon Oct 04 2004 - 12:53:00 PDT
