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