From: Paul Rigor (paul.rigor_at_uci.edu)
Date: Thu Aug 15 2013 - 11:15:40 CDT
The command for setting the LD_LIBRARY_PATH depends on how you want that
environment variable to persist. If you want it to persist for the lifetime
of your shell session, issue the export but ensure that you include
(prepend or append) the existing values of LD_LIBRARY_PATH
eg, export LD_LIBRARY_PATH=/path/to/cuda/libs:$LD_LIBRARY_PATH
On the other hand, if you want to set the path for just the lifetime of the
namd process, just prepend the namd command as such
On Thursday, August 15, 2013, Norman Geist wrote:
> The Ti has about 30% better performance, similar factor for the pricing.
> Same for the 700 series models. The pricing almost scales perfectly with
> the performance, except of the faster memory in the newer series. So at
> least it doesn’t really matter.****
> ** **
> Norman Geist.****
> ** **
> *Gesendet:* Donnerstag, 15. August 2013 08:53
> *An:* Norman Geist
> *Cc:* Namd Mailing List
> *Betreff:* Re: namd-l: All CUDA devices are in prohibited mode, of
> compute capability 1.0, or otherwise unusable.****
> ** **
> As for the LD_LIBRARY_PATH, I simply put the namd2 command line in a shell
> script, with a "export LD_LIBRARY_PATH=libcudartpath" line before it.****
> While fiddling with the "+devices" directive I have also tried other
> combinations including 0,0,0,0, but all of them turned out to be slower
> than simply using the CPUs. I'll try the other options and see if they
> help, but, it seems the hardware isn't that great...****
> The good news is that it isn't my machine - I'm visiting another group
> which happened to have a desktop with that configuration with virtually no
> use. I'm actually deciding which model to buy for my own server, and I'm
> quite confused about all those different models. Since you mentioned the
> GTX660, how does it compare to the GTX660Ti? Amazon is listing the first
> for $194 and the second for $317.
> ** **
> 2013/8/14 Norman Geist <norman.geist_at_uni-greifswald.de>****
> Alright, just wanted to check which libcudart it is using, how do you pass
> the LD_LIBRARY_PATH to namd2, do you use ++runscript? Possibly namd is
> getting the wrong cudart version dynamically linked.
> As it seems, namd is unable to list up your devices for some reason, maybe
> because <see above>. But fine if it is running if you pass the device id.
> What version of namd are you using? If higher 2.8, try +ignoresharing or
> +devices 0,0,0,0 (number of cpus) for the namd2 command, to try
> oversubscription. Additionally, for all versions, try "twoawayx yes" for
> small boxes and "fullelectfrequency 4" to save pcie communication in
> in your namd config.
> But I think you won't get much more performance out of the quadro, as it
> only 96 cuda cores which is quite few compared to 1344 on a GTX660 which is
> only about 200 bucks.
> I understand why people buy themselves a nvidia tesla series card, but I
> don't understand why people pay that much money for this quadro rubbish.
> key advantages they have is showing GPU utilization and doing QuadBuffered
> Stereo. Much cheaper a GTX660 f.i. and a passive 3d monitor both together
> for about 500 bucks and much better performance and no need for 140Hz
> monitor that are quite expensive or a quadro card that is about some
> thousands sometimes.
> If your machine has one more pcie x16 slot, try to get yourself a geforce
> Good luck
> Norman Geist.
> > -----Ursprüngliche Nachricht-----****
> > Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> > Auftrag von Lucas****
> > Gesendet: Donnerstag, 15. August 2013 00:10
> > An: Norman Geist; namd-l_at_ks.uiuc.edu
> > Betreff: Re: namd-l: All CUDA devices are in prohibited mode, of****
> > compute capability 1.0, or otherwise unusable.
> > ldd returns:
> > linux-vdso.so.1 => (0x00007fffe39ff000)
> > libpthread.so.0 => /lib64/libpthread.so.0 (0x0000003049200000)
> > libdl.so.2 => /lib64/libdl.so.2 (0x0000003048e00000)
> > libcudart.so.4 => not found
> > libm.so.6 => /lib64/libm.so.6 (0x0000003049600000)
> > libstdc++.so.6 => /usr/lib64/libstdc++.so.6 (0x0000003055a00000)
> > libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x0000003054a00000)
> > libc.so.6 => /lib64/libc.so.6 (0x0000003048a00000)
> > /lib64/ld-linux-x86-64.so.2 (0x0000003048600000)
> > nvidia-smi –q –g 0 actually returns an error (Invalid combination of
> > input arguments), but I've included the full output from a
> > "nvidia-smi -q" in the end of the e-mail.
> > I was fiddling with the command line options this morning and found
> > out that the program actually runs if I include the +devices directive
> > (I thought that namd would simply assume it would be "+devices all" if
> > that option was not used). What is weird about it is that the
-- -- Paul Rigor http://www.ics.uci.edu/~prigor "What we observe is not nature itself, but nature exposed to our method of questioning" ~ Werner Karl Heisenberg
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