[gmx-users] 2016.1 : BUG 'gmx wham' option '-nt' not recognized

[Mark Abraham]

Hi,

It's a good place to discuss problems :-) The docs for gmx wham were
misleading (and I've proposed a fix for them). The -nt option is indeed not
supported, but by default gmx wham will use all available cores for the
parts of it that have support OpenMP parallelism. You could limit that with
e.g.

export OMP_NUM_THREADS=2
gmx wham

if you felt you should.

Mark

On Wed, Dec 14, 2016 at 7:55 AM Walter K Vogel <vogelw at onid.oregonstate.edu>
wrote:

> First, not sure if this is the right place for a bug report.
>
> Reproducible between system types and compilers
> 1: CentOS Linux gcc/5.4.0
> 2: MacOS clang/3.9.0
>
>
> Error mess:
>
> Program:     gmx wham, version 2016.1
> Source file: src/gromacs/commandline/cmdlineparser.cpp (line 235)
> Function:    void gmx::CommandLineParser::parse(int *, char **)
>
> Error in user input:
> Invalid command-line options
>     Unknown command-line option -nt
>
>
> Walter K Vogel, PhD
> Department of Pharmaceutical Science
> College of Pharmacy • Oregon State University • 1601 SW Jefferson Ave •
> Corvallis, OR 97331-3507
>
> vogelw at oregonstate.edu <mailto:vogelw at oregonstate.edu> | Follow
> @WalterKVogel <
> https://twitter.com/intent/follow?original_referer=https://about.twitter.com/resources/buttons&region=follow_link&screen_name=walterkvogel&tw_p=followbutton>
> |  http://orcid.org/0000-0002-5663-6660
>
>
>
>
>
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