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

[Walter K Vogel]

Hello Mark, 

I will limit the threads as suggested as suggested. 

Thanks,
Walter
> On Dec 13, 2016, at 2:13 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> 
> 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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