GROMACS version: gmx mdrun, version 2019.3
GROMACS modification: No
I simulated a system of Asphaltene structure with a solvent for 80ns simulation time, 40000000 steps. After 34 hours the job stopped and the output file reads:
File input/output error:
I check this issue here and found this answer (File input/output error).
But, I am not satisfied yet. Any other reason for this error? And how to deal with it?
Should I run this simulation from the beginning or start from the step, where it stopped?
md.mdp (2.8 KB)
Command line: gmx mdrun -deffnm md_1
Reading file md_1.tpr, VERSION 2019.3 (single precision)
WARNING: This run will generate roughly 13269 Mb of data
starting mdrun ‘Asp_box’
40000000 steps, 80000.0 ps.
Program: gmx mdrun, version 2019.3
Source file: src/gromacs/utility/futil.cpp (line 441)