AMBER Archive (2003)

Subject: AMBER: mpi in mm-pbsa

From: Shuang Ding (sd517_at_nyu.edu)
Date: Thu Aug 07 2003 - 12:57:03 CDT

Dear Amber Users,

When I use mm-pbsa to calculate free energy in amber7, I got this error
"mpirun must be used to launch all MPI applications
/usr/local/etc/amber7/exe/sander -O -i sander_rec.in -o sander_rec.1.out -c ../c1_rec.crd.1 -p ../x.top not successful"
I didn't find a way to apply mpirun in mm-pbsa input file. How can the mpirun be applied automatically when sander is used in mm-pbsa?

Thanks a lot.

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