[gmx-users] undefined symbol: TMPI_BYTE
mark.j.abraham at gmail.com
Mon Sep 15 09:32:45 CEST 2014
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.
On Sat, Sep 13, 2014 at 3:09 PM, Chandan Choudhury <iitdckc at gmail.com>
> 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.
> AMD Opteron(tm) Processor 4180
> Chandan Kumar Choudhury
> National Chemical Laboratory, Pune
> *"All work and no play makes Jack a dull boy...”*
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