Hello experts,I ran a MD simulation on HPC where Gromacs-2016.4 installed on
GPU.I run the production simulation using job file and it terminated with the
fatal error: setting the number of thread-MPI ranks is only supported with
thread-MPI and Gromacs was compiled without thread-MPI. Please
Hello experts,I ran a MD simulation on HPC where Gromacs-2016.4 installed on
GPU.I run the production simulation using job file and it terminated with the
fatal error: setting the number of thread-MPI ranks is only supported with
thread-MPI and Gromacs was compiled without thread-MPI. Please
