AMBER Archive (2003)

Subject: Amber7 and mpirun on Linux

From: Wen Li (liw_at_wadsworth.org)
Date: Thu Apr 10 2003 - 13:14:59 CDT

Hello everyone,

I installed Amber7 on our Beowulf Linux cluster using the machine file
Machine.pgf77_mpi. The PBS has not installed on our cluster at this
moment so I just tried to run Amber using:

mpirun -np 4 /usr/local/amber/amber7/exe/sander -O -i min.in -p del.top
-c del.crd -o del.out -r del.rst

I got the error message: unknown flag: -p4pg

Could you please tell me how to remove the error, thanks!

Wen