That is my question:

  • How can I track the progress / read the output file of an ongoing calculation in GAMESS-LIBCCHEM from NVIDIA?

The steps I have followed are in:

  1. https://www.nvidia.com/en-us/data-center/gpu-accelerated-applications/gamess/

In there, there is a command line:

nvidia-docker run -v $(pwd):/results --rm nvcr.io/hpc/gamess:17.09-r2-libcchem -c "cd /workspace/examples && rungms cc-h2co.inp"

But, that command line print an output file only when the calculation has finished.

I want to read the output while the calculation is running and I do not know how.

I am running it on my laptop: i7 + geforce 940m + 12 gb of ram


closed as off-topic by Tyberius, A.K., Todd Minehardt, Mithoron, NotEvans. Jul 30 '18 at 18:04

  • This question does not appear to be about chemistry within the scope defined in the help center.
If this question can be reworded to fit the rules in the help center, please edit the question.

  • 3
    $\begingroup$ You generally have much better luck with such highly specialized questions, if you contact either the developers themselves (nvidia-docker) or the user community. $\endgroup$ – Greg Jul 28 '18 at 13:27
  • 4
    $\begingroup$ This seems to relate to a specific program or programming issue, rather than an underlying chemical issue $\endgroup$ – Tyberius Jul 29 '18 at 2:27
  • $\begingroup$ Of course, you could always bring this up at chat. In matters pertaining to computational chem, I recommend asking Mod. @Martin about it ;-) $\endgroup$ – paracetamol Jul 29 '18 at 3:23