GROMACS version: 2018.7
Running 3 mb GROMACS lysozyme tutorial simulation on high-performance computing server with GPU and final mdrun command 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 in the (Input1) file attached below which is the file being submitted to run the task.
The (slurm) file attached below is the output file that contains the error message.
Are there any recommendations on how to solve this issue?
A.Swaroop Sanket
Try this:
sudo swapoff -a; sudo swapon -a
then re-act on the simulation.
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