OpenMM Zephyr CUDA question(in linux)

OpenMM Zephyr provides a visual application for running GPU-accelerated molecular simulations.
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Cho yunsung
Posts: 8
Joined: Sun Jul 26, 2009 4:20 pm

OpenMM Zephyr CUDA question(in linux)

Post by Cho yunsung » Tue Aug 25, 2009 6:48 am

hi

I have tested OpenMM Zephyr. In my window OS computer(my com : window xp 32bit, linux(CentOS 5.x.x 64bit) dual boot), both CPU and GPU was performed well.

In linux(CetOS(redhat)5.x.x , 64bit)
CPU was performed well, but GPU wasn't perforemd.
CUDA and VMD installed successfully as their manuals.
And when I performed OpenMM Zephyr in Linux using 'GPU nVidia Simulation hardware option',
in VMD console, I can see that GPU was detected and Geforce XXX message...
In other words, I setted hardware option is 'GPU nVidia' but, when OpenMM Zephyr don't use 'GPU nVidia' but use 'CPU OpenMM(default value)'.

Is that because I use 64bit linux or another problems or another setting options?
Please, somebody help me.
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Christopher Bruns
Posts: 32
Joined: Thu Apr 07, 2005 1:10 pm

RE: OpenMM Zephyr CUDA question(in linux)

Post by Christopher Bruns » Tue Aug 25, 2009 8:01 am

I suspect that it is because of 64 bit Linux. At the moment Zephyr does not support 64 bit linux, though the recent release of OpenMM Preview Release 4 does. The next release of Zephyr might have support for 64 bit Linux.
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