Memory -error

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1

GROMACS version: centos7.3/comp/intel/PS2018-update2/bin/compilervars.sh intel64
centos7.3/comp/cmake/3.10.1
centos7.3/comp/gcc/6.4
centos7.3/app/gromacs/2020-impi-mkl-PS2018-GOLD
GROMACS modification: /No
Here post your question
Dear all,

When I make a rough calculation , the finishing time is like a one month for only NVT Equilibration. Is it normal? and how can I fix the memory problem? I got an error about memory.

https://drive.google.com/drive/folders/1jZv2dOSSkx2nB-xEdTAnIJmTNufO5Cgu?usp=sharing

2

Hi,

Gromacs apparently cannot write it’s output files due to a lack of available storage space. Have you asserted that you have enough available where you run the job? And that Gromacs has write permissions in that space? Since you seem to be running on a cluster it might be wise to ask the maintainers of that for help.

Regards,
Petter

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