Hi all,
When running a Temperature REMD simulation with let's say 24 replicas (64
different temperatures), Do I need to have at least 48 CPUs or GPUs running
in parallel?
With
'mpirun -np 24 pmemd.MPI -ng 24 .'
I receive the error that np must be a multiple of ng.
Kind regards,
Andeas
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Received on Thu Mar 02 2017 - 09:30:02 PST
