I had been running successful 100ns simulations and decided to extend the simulations for 300 ns. The extension of the simulations and the longer simulations are throwing me segmentation fault, Core dumped error for the mdrun step.

I tried to reinstall gromacs several times and now i am not even able to run the 100 ns simulations because of the core dumped error in the mdrun step and 100% performance degraded to 30-40%

I am using gromacs-5.1.4, cmake-3.10.0 , fftw-3.3.7 and AMD Ryzen 7 1800X Eight-Core Processor with 16 threads

I used the below line to compile my gromacs.

cmake '/home/user/Downloads/gromacs-5.1.4' -DCMAKE_C_COMPILER=gcc-4.9 -DCMAKE_CXX_COMPILER=g++-4.9 -DGMX_GPU=on -DGMX_SIMD=AVX2_256 -DGMX_BUILD_OWN_FFTW=ON

I would really appreciate any help or any suggestions regarding this problem. Thanks in advance