GROMACS version: 2018.7
GROMACS modification: No
Running 3 mb simulation on high-performance computing server w GPU and final mdrun keeps getting error of “not enough memory. Failure to allocate aligned elements”
Simulation works on personal laptop, therefore error is somewhere in the GPU commands listed below-
#SBATCH --nodes=1 # number of nodes
#SBATCH --ntasks-per-node=10 # 10 processor core(s) per node
#SBATCH --mem=180G # maximum memory per node
#SBATCH --partition=gpu # gpu node(s)
#SBATCH -p gpu -C gpup100 --gres=gpu:1
Any recommendations to fix this issue?