[gmx-users] undefined symbol: TMPI_BYTE

Szilárd Páll pall.szilard at gmail.com
Tue Sep 16 20:02:52 CEST 2014


Perhaps you had another GROMACS installation (system?) in your
(library) path and as a result you freshly built mdrun_466 binary was
loading the other installation's shared libraries?

--
Szilárd


On Tue, Sep 16, 2014 at 3:47 PM, Chandan Choudhury <iitdckc at gmail.com> wrote:
> Dear Mark,
>
> Thanks for the reply.
> Use of -DGMX_LIBS_SUFFIX=_466 did resolve the issue.
>
> I was facing the same issue on three servers, and compile gmx with
> _DGMX_LIBS_SUFFIX resolved the issue.
>
> Thanks your your help.
>
> Chandan
>
>
> On Mon, Sep 15, 2014 at 1:02 PM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>
>> Hi,
>>
>> That seems like a novel achievement. Perhaps you haven't sourced GMXRC like
>> you should, or removed some library like you shouldn't... AFAIK it should
>> not be essential to use -DGMX_LIBS_SUFFIX=_466 in concert with your other
>> choices, but it would be wise to do so.
>>
>> Mark
>>
>> On Sat, Sep 13, 2014 at 3:09 PM, Chandan Choudhury <iitdckc at gmail.com>
>> wrote:
>>
>> > Dear gmx users,
>> >
>> > Following error pops up when I try to run mdrun (v4.6.6)
>> > $ mdrun_466 -h
>> > mdrun_466: symbol lookup error: mdrun_466: undefined symbol: TMPI_BYTE
>> >
>> > Can anyone suggest me the workaround to this?
>> >
>> > I have compiled the gmx 466 using following commands:
>> >
>> > CMAKE_PREFIX_PATH=$apps/fftw/3.3.3/single cmake .. \
>> > -DCMAKE_INSTALL_PREFIX=$apps/gromacs/466/single \
>> > -DGMX_X11=ON -DGMX_DEFAULT_SUFFIX=OFF -DGMX_BINARY_SUFFIX=_466 \
>> > -DGMX_DOUBLE=OFF \
>> > && make -j 12 && make -j 12 install
>> >
>> > gcc 4.8.1 was used to compile.
>> >
>> > Architecture:
>> > AMD Opteron(tm) Processor 4180
>> >
>> > Chandan
>> >
>> >
>> > --
>> > Chandan Kumar Choudhury
>> > National Chemical Laboratory, Pune
>> > India
>> >
>> > *"All work and no play makes Jack a dull boy...”*
>> > --
>> > Gromacs Users mailing list
>> >
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>> >
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>
>
>
> --
>
> --
> Chandan Kumar Choudhury
> National Chemical Laboratory, Pune
> India
>
> *"All work and no play makes Jack a dull boy...”*
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
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