RUN TIME ENVIROMENT VARIABLE.

Main Characteristics To Setup Run Time Environment Variable.
1)Improve the performance.
2)Resolve the error (or) Problem.

1)While run the GPU HPL Benchmark to get Max performance.
export CUDA_DGEMM_SPLIT=.96 (Related GPU)
export CUDA_DTRSM_SPLIT=.93 (Related GPU)
export OMP_NUM_THREADS=4 (set no of Threads)
export MKL_NUM_THREADS=4 (Set no of Threads)

2)PBS RUN TIME ENVIRONMENT VARIABLE
source /usr/share/Modules/init/sh
export MPI_DEBUG=all
export MPI_VERBOSE=1
unset OMP_NUM_THREAD

By through set the above variable we can resolve the below error message.
ERROR MESSAGE: Fatal error:
OpenMP threads have been requested with cut-off scheme Group, but these are only supported with cut-off scheme Verlet
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
"I was detained, I was restrained" (The Smiths)
Error on node 1, will try to stop all the nodes
Halting parallel program mdrun_mpi on CPU 1 out of 16
-------------------------------------------------------

3)DEBUG MPI COMMUNICATION RELATED ISSUE