GROMACS version: 2018.4
GROMACS modification: /No
Hello,
I am running MARTINI model using local GPU cluster consisted of 4 gpus. From the output log of mdrun I noticed that all 4 GPU were detected:
Note: 56 CPUs configured, but only 28 were detected to be online.
X86 Hyperthreading is likely disabled; enable it for better performance.
Running on 1 node with total 28 cores, 28 logical cores, 4 compatible GPUs
Hardware detected on host romeo19.ro18.urca (the node of MPI rank 0):
GPU info:
Number of GPUs detected: 4
#0: NVIDIA Tesla P100-SXM2-16GB, compute cap.: 6.0, ECC: no, stat: compatible
#1: NVIDIA Tesla P100-SXM2-16GB, compute cap.: 6.0, ECC: no, stat: compatible
#2: NVIDIA Tesla P100-SXM2-16GB, compute cap.: 6.0, ECC: no, stat: compatible
#3: NVIDIA Tesla P100-SXM2-16GB, compute cap.: 6.0, ECC: no, stat: compatible
however only one of them were using in the computing
Using 1 MPI process
Using 24 OpenMP threads
1 GPU auto-selected for this run.
Mapping of GPU IDs to the 1 GPU task in the 1 rank on this node:
How I could use all 4 GPUs of the node ? here is options for mdrun:
gmx_mpi mdrun -v -deffnm equil -ntomp $SLURM_CPUS_PER_TASK -gpu_id 0123
Thank you in advance!