BATTERIES

NAME
BATTERIES - produces simulation multiplets

SYNOPSIS
BATTERIES  nbatt

DESCRIPTION
Produces nbatt independent simulations of the same generalized ensemble system. This option can be used to augment the statistics of a REM simulation. In case of multiple REM simulations, the option BATTERIES expand the total number of MPI instances to nbatt $\times$ nreplicas. The number of replicas in each independent simulation processes is given by the integer ${\rm NPROC}/{\it nbatt}$ where NPROC is specified in the mpirun command.

EXAMPLES

• Example 1.

  &REM
    ..
    SETUP    1.0           0.3         0.3         1
    BATTERIES 32
   ...
  &END
  

  When this input is launched on, e.g. exactly 320 MPI instances, 32 independent H-REM simulations are produced, each scaling torsional and non bonded potential from 1.0 (target state) to 0.3 (hottest state).
• Example 2.

  &REM
    ..
    SETUP    1.0           1.0         1.0         1
    BATTERIES 32
   ...
  &END
  

  When this input is launched on exactly 32 MPI instances, 32 independent standard simulations are produced.

DEFAULTS
nbatt=1