Error (gmx mdrun -deffnm nvt) on the KALP-15 mebrana simulation

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1

Good night.

I am trying to run the following code (gmx mdrun -deffnm nvt) on the KALP-15 mebrana simulation, but I am getting the following error:

Back off! I just backed up nvt.log to ./#nvt.log.5#
Read file nvt.tpr, VERSION 2020.3 (single precision)
Changing nstlist from 5 to 100, rlist from 1.2 to 1.293

Using 1 MPI thread

Non-default thread affinity set, disabling internal thread affinity

Using 2 OpenMP threads

Back off! I just made a backup of nvt.trr to ./#nvt.trr.5#

Back off! I just backed up nvt.edr to ./#nvt.edr.5#
initial mdrun ‘frame t = 1,000 in water’
50,000 steps, 100.0 ps.
__________________________________________-
Beforehand thank you very much.

2

What exactly do you think is an error in that text you copy and pasted?

Those are all messages tell you what it is doing, there is nothing there that is an error.

3

@Dr_DBW The error is that after the code “runs” and the previous lines come out, nothing happens, it remains there, that is, the code does not run as such.

4

It is probably running, check your CPUs to see if they are running the code or not. Try using the script using -v which is for verbose, it will tell you what step it is up to as it is running. Another way to monitor is watching the trajectory and log files as they are being filled with data.

5

Thank you very much. @Dr_DBW