Hi,
I am successfully but very slowly running MD on 84 processors, about a rate of 1/2 ns a day, with sander using the following command:
mpirun -np 84 sander -O -i prod.in -p protein.prmtop -c protein_equil.rst -o protein_prod.out -x protein_prod.mdcrd -r protein_prod.rst
When I try the same with sander.MPI, nothing seems to happen, I mean the job runs, but no output files are ever written, I guess I am doing some trivial mistake....
Could some nice soul help me to find the problem??
Thanks a lot,
Fabian
Technion, Israel
_______________________________
Fabian Glaser, PhD
Bioinformatics Knowledge Unit,
The Lorry I. Lokey Interdisciplinary
Center for Life Sciences and Engineering
Technion - Israel Institute of Technology
Haifa 32000, ISRAEL
fglaser.technion.ac.il
Tel: +972 4 8293701
Fax: +972 4 8225153
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Received on Wed Nov 28 2012 - 07:00:03 PST
