Re: [gmx-users] GPU metadynamics

On 08/15/2013 11:21 AM, Jacopo Sgrignani wrote: Dear Albert to run parallel jobs on multiple GPUs you should use something like this: mpirun -np (number of parallel sessions on CPU) mdrun_mpi .. -gpu_id so you will have 4 calculations for GPU. Jacopo thanks a lot for

Re: [gmx-users] GPU metadynamics

Dear Albert to run parallel jobs on multiple GPUs you should use something like this: mpirun -np (number of parallel sessions on CPU) mdrun_mpi .. -gpu_id so you will have 4 calculations for GPU. Jacopo Inviato da iPad Il giorno 15/ago/2013, alle ore 10:56, Albert ha sc

[gmx-users] GPU metadynamics

Hello: I've got two GTX690 GPU in a workstation, and I compiled gromacs-4.6.3 with plumed and MPI support. I am trying to run some metadynamics with mdrun with command: mdrun_mpi -s md.tpr -v -g md.log -o md.trr -x md.xtc -plumed plumed2.dat -e md.edr but mdrun can only use 1 GPU as indi