From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Wed Apr 29 2009 - 22:16:32 CDT
I have been trying to run NAMD2.7b1 on Abe but I have run into some
problems. I am using:
#PBS -l nodes=4:ppn=8
#PBS -l walltime=02:00:00
mpirun -machinefile $PBS_NODEFILE -np $NPROCS \
I found the executable thanks to the NAMD WIKI:
It seems that NAMD instead of running in parallel it starts 32 independent
single CPU simulations:
Charm++> cpu topology info is being gathered!
Charm++> 1 unique compute nodes detected!
It repeats the above 32 times. Am I using it incorrectly?
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