David Chalmers

Starmaker

Fixed code broken in half-completed modifcations

Initial commit

Hi Werner, scontrol show node gives: NodeName=compute-0-0 Arch=x86_64 CoresPerSocket=12 CPUAlloc=0 CPUTot=48 CPULoad=0.01 AvailableFeatures=rack-0,48CPUs ActiveFeatures=rack-0,48CPUs Gres=gpu:3 NodeAddr=10.1.1.254 NodeHostName=compute-0-0 Version=18.08 OS=Linux 3.10.0-693.5.2.el7.x86_64 #1 SMP Fri Oct 20 20:32:50 UTC 2017 RealMemory=31582 AllocMem=0 FreeMem=28683 Sockets=2 Boards=1 State=IDLE ThreadsPerCore=2 TmpDisk=209402 Weight=20527900 Owner=N/A MCS_label=N/A Partitions=CLUSTER,WHEEL BootTime=2018-12-03T14:50:52...

Hi All, I have a new Rocks GPU cluster with the slurm roll installed. I am trying to submit Gromacs jobs. Gromacs uses hybrid MPI/OpenMPI parallelisation. Gromacs jobs run correctly when run logged into the compute node. Command: /apps/linux/gromacs/gromacs-2018.3_Intel_CUDA8.0/bin/gmx mdrun -deffnm md6 Top shows a single process using > 100% CPU Tasks: 472 total, 2 running, 470 sleeping, 0 stopped, 0 zombie %Cpu(s): 96.9 us, 3.0 sy, 0.0 ni, 0.1 id, 0.0 wa, 0.0 hi, 0.0 si, 0.0 st KiB Mem : 32340540...

Hi All, I have a new Rocks GPU cluster with the slurm roll installed. I am trying to submit Gromacs jobs. Gromacs uses hybrid MPI/OpenMPI parallelisation. Gromacs jobs run correctly when run logged into the compute node. Command: /apps/linux/gromacs/gromacs-2018.3_Intel_CUDA8.0/bin/gmx mdrun -deffnm md6 Top shows a single process using > 100% CPU Tasks: 472 total, 2 running, 470 sleeping, 0 stopped, 0 zombie %Cpu(s): 96.9 us, 3.0 sy, 0.0 ni, 0.1 id, 0.0 wa, 0.0 hi, 0.0 si, 0.0 st KiB Mem : 32340540...