[gmx-users] Error in gmx trjcat

Syed Azeem syedazeemullah186 at gmail.com
Wed Apr 18 12:33:45 CEST 2018


> Hi,
>
> Probably something like an upgrade of the OS or compiler version changed
> the libraries that it linked to at run time and somehow the checks to
> prevent such problems didn't work. If you would recompile GROMACS on that
> machine, it would likely be fine.

Hey Mark,

Thanks for the suggestion. I'll try recompiling the package.

Best,
Azeem
>
> Mark
>
> On Wed, Apr 18, 2018, 05:37 Syed Azeem <syedazeemullah186 at gmail.com> wrote:
>
>> >> Hey Mark,
>> >>
>> >> Still the same problem persists.
>> >>
>> >>
>> >>
>> > Hi,
>> >
>> > That looks like a broken build of GROMACS, rather than a bug in the
>> > code
>> or
>> > a broken file. Can you try those gmx check commands on another
>> installation
>> > somewhere else? (Also gmx check -m doesn't do anything useful any more,
>> so
>> > don't buy trouble by using it!)
>>
>> Hey,
>>
>> I tried concatenating those trajectory files in another machine (same
>> version: gromacs 5.1.4). It worked well without any error.
>>
>> What is wrong with my own build?
>>
>> Best,
>> Azeem
>> >
>> > Mark
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