Re: [gmx-users] Help w.r.t enhancing the node performance for simulation

Dear all, Could you please tell me, if this is normal during running a simulation. I am running mdrun with -v flag and i receive this, . . vol 0.23! imb F 2264% pme/F 0.57 step 1496300, will finish Mon Jan 21 00:13:42 2019 vol 0.23 imb F 3249% pme/F 0.75 step 1496400, will finish Mon Jan 21

Re: [gmx-users] Help w.r.t enhancing the node performance for simulation

Dear all, I was able to overcome the issue, by introducing the command "mpirun -np x" before the command. Here is the exact command- mpirun -np 32 gmx_mpi mdrun -v -deffnm md_0_10 -cpi md_0_10.cpt -append -ntomp 4 Thank you. On Fri, Dec 28, 2018 at 12:12 PM Prasanth G, Research Scholar <

[gmx-users] Help w.r.t enhancing the node performance for simulation

Dear all, Though the GROMACS was configured with MPI support during installation. installation cmake.txt I am able to use only one MPI process on the node for the simulation. This happens