[gmx-users] Problems in compiling GROMACS with VMD plugin
roland at utk.edu
Tue Jul 8 20:34:19 CEST 2014
GMX_USE_PLUGINS has to be enabled in your CMackeCache.txt. Are you building
under Linux? It probably didn't find dlopen support. Look for "Result of
test for dlopen" when you run cmake in a new build folder. You can see in
CMakeFiles/CMakeError.log why the dlopen test fails.
On Tue, Jul 8, 2014 at 10:27 AM, ming ma <morning22704 at gmail.com> wrote:
> I met some problems in compiling GROMACS with VMD plugin. Generally
> speaking, the compilation is finished, but it did't involve vmd plugin.
> I first complied the serial version of GROMACS, the VMDDIR is set as
> export VMDDIR=/home/ming/lib/vmd191
> where vmd is installed,
> [ming at mingtlv vmd191]$ pwd
> [ming at mingtlv vmd191]$ ls
> Announcement libexpat.so.0 plugins shaders
> doc libsqlite3.so.0 README stride_LINUXAMD64
> libcudart.so.4 LICENSE scripts surf_LINUXAMD64 vmd_LINUXAMD64
> , then I complied GROMACS successfully. Then I set the VMD_PLUGIN_PATH
> [ming at mingtlv g-van]$ echo $VMD_PLUGIN_PATH
> however, when I trying to use g_vanhove to load a LAMMPS trajectory with
> g_vanhove -f ../traj.lammpstrj -s topol.tpr -om vanhove.xpm -rmax 20 -rbin
> I met the following problem,
> Program g_vanhove, VERSION 4.6.5
> Source code file: /home/ming/software/gromacs-4.6.5/src/gmxlib/trxio.c,
> line: 1040
> Fatal error:
> Not supported in read_first_frame: ../traj.lammpstrj. Please make sure that
> the file is a trajectory.
> GROMACS is not compiled with plug-in support. Thus it cannot read
> non-GROMACS trajectory formats using the VMD plug-ins.
> Please compile with plug-in support if you want to read non-GROMACS
> trajectory formats.
> So it seems that GROMACS was not compiled with the vmd plugin. For example,
> in the compiling_directory/src/config.h, I can't find GMX_DLOPEN, and in
> the output of the compilation, by searching for vmd and VMD, I can only
> find lines
> [ 3%] Building C object src/gmxlib/CMakeFiles/gmx.dir/vmddlopen.c.o
> [ 6%] Building C object src/gmxlib/CMakeFiles/gmx.dir/vmdio.c.o
> Sorry anybody have ideas how I can solve this problem?
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