Common setup problem : No Frequency Warning

If you use NOFRQS in the PATHDATA file then, make sure to use NOFRQS in the ODATA.CONNECT file.

For example if the PATHDATA file looks like following:

SLURM
CYCLES 100
ADDPATH path.info.first
TEMPERATURE 0.592
PLANCK  9.536D-14
EXEC /home/ab2480/svn/OPTIM/builds/AMBER/A12OPTIM
NATOMS 68
COPYFILES perm.allow min.in coords.prmtop coords.inpcrd
COPYOPTIM
DIRECTION BA
CONNECTREGION 1 2 200
CONNECTIONS 1
ITOL 10.0D0
NOFRQS
GEOMDIFFTOL 0.3D0
EDIFFTOL 1.0D-4
PERMDIST
AMBER12

ODATA.CONNECT file should be :

REOPTIMISEENDPOINTS
UPDATES 20 4 20 10 4
NEWCONNECT 20 3 10.0 40.0 50 2.0 0.001
NEWNEB 40 400 0.1
NEBK 10.0
NOCISTRANS
DIJKSTRA EXP
DUMPALLPATHS
CHECKCHIRALITY
EDIFFTOL  1.0D-4
MAXERISE 1.0D-4 1.0D-2
GEOMDIFFTOL  0.1D0
BFGSTS 1000 20 200 0.01 100
BFGSMIN 1.0D-6
NOHESS
NOFRQS
PERMDIST
MAXSTEP  0.2
TRAD     0.5
MAXMAX   1.0
BFGSCONV 1.0D-6
PUSHOPT 0.2 0.001 100
STEPS 1000
BFGSSTEPS 60000
MAXBFGS 0.2
AMBER12 start

Note that it is essential to have AMBER12 start at the end. PATHSAMPLE creates start.<pid> and finish.<pid> files, which will be copied to start and finish when OPTIM runs locally.