[gmx-users] undefined symbol: TMPI_BYTE

[Chandan Choudhury]

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...”*