[gmx-users] Unable to compile plug-in support for gromacs 5.1.2

Christopher Neale chris.neale at alum.utoronto.ca
Wed Nov 23 19:23:57 CET 2016

Dear Users:

I tried to compile gromacs 5.1.2 with plugin support, but upon running gmx trjconv I get the following error message indicating that plugin support was not actually included:

$ /scratch/cneale/exe/GROMACS/exec/gromacs-5.1.2/serial_plugins/bin/gmx trjconv -f MD1.mdcrd.nc -s EM.gro  -o a.xtc

<... snip ...>

Fatal error:
Not supported in read_first_frame: MD1.mdcrd.nc. 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.

### compilation was via nohup ./cn_compile.sh , where the contents of that compilation script are:
mkdir -p ../../../exec/gromacs-5.1.2/serial_plugins
export FFTW_LOCATION=/scratch/cneale/exe/FFTW/fftw-3.3.4/exec
/scratch/cneale/exe/CMAKE/cmake-3.5.1-Linux-x86_64/bin/cmake ../../../source/gromacs-5.1.2/ \
      -DCMAKE_INSTALL_PREFIX=$(pwd)/../../../exec/gromacs-5.1.2/serial_plugins \
      -DGMX_X11=OFF \
      -DGMX_MPI=OFF \
      -DCMAKE_C_COMPILER=gcc \
      -DGMX_GPU=OFF \
make -j 8
make install -j 8

### I also tried adding the following preliminary command, but it made no difference:
export VMD_PLUGIN_PATH=/scratch/cneale/exe/vmd-1.9.2/plugins/LINUXAMD64/molfile

Also, including -DGMX_LOAD_PLUGINS=ON to the cmake command did not help either.

### Here is some further information that might be useful based on the other posts I saw on this topic:

$ grep PLUG CMakeCache.txt 
//ADVANCED property for variable: GMX_LOAD_PLUGINS

$ grep DLOPEN CMakeCache.txt 

$ grep HAVE_DLOPEN nohup.out 
-- Performing Test HAVE_DLOPEN
-- Performing Test HAVE_DLOPEN - Success

$ ls /scratch/cneale/exe/vmd-1.9.2/plugins/LINUXAMD64/molfile
abinitplugin.so    brixplugin.so  dcdplugin.so	   fs4plugin.so      jsplugin.so      molemeshplugin.so  pbeqplugin.so	    rst7plugin.so	   vaspchgcarplugin.so	 webpdbplugin.so
avsplugin.so	   carplugin.so   dlpolyplugin.so  gamessplugin.so   lammpsplugin.so  msmsplugin.so	 pdbplugin.so	    situsplugin.so	   vaspoutcarplugin.so	 xbgfplugin.so
babelplugin.so	   ccp4plugin.so  dmsplugin.so	   graspplugin.so    maeffplugin.so   namdbinplugin.so	 phiplugin.so	    spiderplugin.so	   vaspparchgplugin.so	 xsfplugin.so
basissetplugin.so  corplugin.so   dsn6plugin.so    grdplugin.so      mapplugin.so     netcdfplugin.so	 pltplugin.so	    stlplugin.so	   vaspposcarplugin.so	 xyzplugin.so
bgfplugin.so	   cpmdplugin.so  dtrplugin.so	   gridplugin.so     mdfplugin.so     offplugin.so	 pqrplugin.so	    tinkerplugin.so	   vaspxdatcarplugin.so
binposplugin.so    crdplugin.so   dxplugin.so	   gromacsplugin.so  mol2plugin.so    parm7plugin.so	 psfplugin.so	    uhbdplugin.so	   vaspxmlplugin.so
biomoccaplugin.so  cubeplugin.so  edmplugin.so	   hoomdplugin.so    moldenplugin.so  parmplugin.so	raster3dplugin.so  vasp5xdatcarplugin.so  vtfplugin.so

Thank you for your advice on this compilation with plugins,

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