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Feature #1078

Improve stderr output

Added by Erik Lindahl over 6 years ago. Updated over 6 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Mark Abraham
Category:
mdrun
Target version:
4.6
Difficulty:
uncategorized
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Description

With the -multi option we write way too much repeated information.
It would also be good to add a 1-line CPU info to mdrun output before the GPU detection output.
We are duplicating the messages about # of tMPI threads started

Associated revisions

Revision 69e15959 (diff)
Added by Mark Abraham over 6 years ago

Quiet stderr output, particularly for multi-simulations

  • removed printing of DD info to stderr
  • printed multi-simulation information only once in places where
    repetition is clearly redundant (Some repetition remains,
    but only from each simulation master.)
  • add option to not print result of multi-simulation check
    if it passed, so that we don't have to print things to
    stderr/stdout just because the .log file is not yet open
  • printing of diagnostics about the number of MPI
    processes present when mdrun starts only goes (once) to
    each debug file, and not to stderr
  • reduced printing of diagnostics about the number of OpenMP
    threads; now goes to stderr only on SIMMASTER, or
    once to each debug file
  • clarified errors and informational messages about selecting
    the number of OpenMP threads

Fixes #1078, refs #1083

Change-Id: If782259bcd62ddd9be325393930080b70c5cfb4e

History

#1 Updated by Roland Schulz over 6 years ago

Another stderr output which is annoying for large number of MPI ranks, is the NODEID and NNODES which is printed once per rank. Can we remove those or are they important for something?

#2 Updated by Szilárd Páll over 6 years ago

I'd add that the long-term major annoyance of all GROMACS programs printing help and usage info by default, without the user requesting it, could be also addressed here.

#3 Updated by Erik Lindahl over 6 years ago

Let's separate the two issues. Printing NODEID and NNODES for thousands of processes is a bug that needs to be fixed before 4.6, but it's too late in the release cycle to change the way all Gromacs programs print to stdout.

#4 Updated by Roland Schulz over 6 years ago

Should NODEID and NNODES be completely removed or should it still be shown in some cases (e.g. with -v, or env-variable, or debug, or <100 nodes)?

#5 Updated by Erik Lindahl over 6 years ago

Showing it with -debug if there are less than 100 nodes makes sense - I can't remember any time where it has helped solve any real bugs.

#6 Updated by Mark Abraham over 6 years ago

  • Category set to mdrun
  • Assignee set to Mark Abraham

The NODEID and NNODES output has been useful on gmx-users to help users work out that they failed to configure with MPI, but the new header information about the execution context replaces that.

I'll take care of this one when I see if #1024 is working

#7 Updated by Mark Abraham over 6 years ago

https://gerrit.gromacs.org/#/c/2028/ addresses most of these issues and one or two things I noticed on the way.

Erik, not sure what you want for the one-line CPU info in the original description. Do you want to patch that separately?

#8 Updated by Mark Abraham over 6 years ago

  • Status changed from New to In Progress

#9 Updated by Erik Lindahl over 6 years ago

As we discussed in the patch about adding hardware info, I think the important part is to have all hardware info in the log, and since we have it there it should be fine.

If we keep adding info to stdout, we are just encouraging the user to mention some of their config and guess the rest, instead of properly attaching their logfile to an error message.

#10 Updated by Erik Lindahl over 6 years ago

  • Status changed from In Progress to Closed

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