I tried to compile the source code of VMD program under ubuntu12 OS. Compiling is OK, but at the execution of VMD, main window does not open, yet the OpenGL display and vmd console do. Of course, I have already checked ".vmdrc" file.
Any suggestions?
Dear Hiroaki, When you run ./configure you should see something like this:
root@homequad:/home/bob/Downloads/vmd-1.9.1# ./configure
using configure.options: LINUXAMD64 OPENGL FLTK TK ACTC CUDA IMD LIBSBALL XINERAMA XINPUT LIBTACHYON VRPN NETCDF TCL PYTHON PTHREADS NUMPY SILENT ICC
When you cd to ./src and, as root, run "make install" you will note that no source is compiled. It is already compiled. You should see:
root@homequad:/home/bob/Downloads/vmd-1.9.1/src# make install
Make sure /usr/bin/vmd is in your path.
VMD installation complete. Enjoy!
When you run vmd, you should see some diagnostics, thus:
bob@homequad:~/Downloads/vmd-1.9.1$ vmd
Info) VMD for LINUXAMD64, version 1.9.1 (February 1, 2012)
Info) http://www.ks.uiuc.edu/Research/vmd/
Info) Email questions and bug reports to [email protected]
Info) Please include this reference in published work using VMD:
Info) Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual
Info) Molecular Dynamics', J. Molec. Graphics 1996, 14.1, 33-38.
Info) -------------------------------------------------------------
Info) Multithreading available, 8 CPUs detected.
Info) Free system memory: 47218MB (73%)
Info) Creating CUDA device pool and initializing hardware...
CUDA error: invalid device symbol, CUDAClearDevice.cu line 62
CUDA error: invalid device symbol, CUDAClearDevice.cu line 62
Info) Detected 2 available CUDA accelerators:
Info) [0] GeForce GTX 690 8 SM_3.0 @ 1.02 GHz, 2.0GB RAM, OIO, ZCP
Info) [1] GeForce GTX 690 8 SM_3.0 @ 1.02 GHz, 2.0GB RAM, KTO, OIO, ZCP
Warning) Detected X11 'Composite' extension: if incorrect display occurs
Warning) try disabling this optional X server feature.
Info) OpenGL renderer: GeForce GTX 690/PCIe/SSE2
Info) Features: STENCIL MSAA(16) MDE CVA MTX NPOT PP PS GLSL(OVFGS)
Info) Full GLSL rendering mode is available.
Info) Textures: 2-D (16384x16384), 3-D (2048x2048x2048), Multitexture (4)
Info) Dynamically loaded 2 plugins in directory:
Info) /usr/local/lib/vmd/plugins/LINUXAMD64/molfile
vmd > Info) VMD for LINUXAMD64, version 1.9.1 (February 1, 2012)
Read the diagnostic carefully. As you can see in mine, there is a possible problem with my CUDAClearDevice.cu in my CUDA 5. Also, there is a warning about my "composite" extension. My vmd works, but if it did not at this point, I would disable compositing in my X and try again. I haven't checked to see what version of CUDA this VMD is compiled against, but if it is not 5, that could also be a problem that could be solved by installing the approriate version of CUDA in /usr/local/cuda-4.xxx and then temporarily making a symlink from there to /usr/local/cuda to see if that solves the problem. Without any error information, that's the best I can do.
Bob
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