Well, I think I finally hit the wall. After lots of different trials and
errors, I get this message when trying to run a simulation:
"No double-precision capable gpu located, exiting."
I can only think that my cheap-O card is the reason. So, next move is to
buy another.
One quick question. Do you need MPI or OpenMPI to run pmemd.cuda ?
Do you tell how many cores you use or when you submit your job, it goes for
the full card capability?
Thanks again for all your help!
Time to sleep a little.
Rodrigo.
2010/7/20 ros <ros.servidor.unam.mx>
> I tried to instal again the 3.1 version of cuda dev driver and SDK.
> pmemd.cuda compiles with no error, but when I try to run a simulation, it
> says:
>
> ros.cuda:~/phd$ $AMBERHOME/bin/pmemd.cuda -O -i prod.in -o prod.out -p
> file.parmtop -c equil.rst -r asdf.rst -x asdf.mdcrd &
>
> [7] 29417
>
> ros.cuda:~/phd$ cudaGetDeviceCount failed CUDA driver version is
> insufficient for CUDA runtime version
>
> Any recomendations would be great.
>
> Thank you!
> Rodrigo.
>
>
> 2010/7/20 ros <ros.servidor.unam.mx>
>
> Tried to build again pmemd.cuda with CUDA SDK 3.0 and no luck:
>>
>>
>> --------------------------------------------------------------------------------------------------------------
>> make[3]: *** [kForcesUpdate.o] Error 1
>> make[3]: Leaving directory `/usr/local/amber11/src/pmemd/src/cuda'
>> make[2]: *** [-L/usr/local/cuda/lib64] Error 2
>> make[2]: Leaving directory `/usr/local/amber11/src/pmemd/src'
>> make[1]: *** [cuda] Error 2
>> make[1]: Leaving directory `/usr/local/amber11/src/pmemd'
>> make: *** [cuda] Error 2
>>
>> --------------------------------------------------------------------------------------------------------------
>>
>> How can I tell if I have a TESTsander environment?
>>
>> Thanks for the help.
>>
>> Rodrigo.
>>
>> 2010/7/19 case <case.biomaps.rutgers.edu>
>>
>> On Mon, Jul 19, 2010, ros wrote:
>>>
>>> > Tried the #!/bin/bash and the script ran, but with problems:
>>> >
>>> > ==============================================================
>>> > cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.md -1
>>> SPDP
>>> > netcdf.mod
>>>
>>> My guess is that you have a TESTsander environment variable set; if you
>>> do,
>>> unset it.
>>>
>>> ....dac
>>>
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>>
>>
>
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Received on Tue Jul 20 2010 - 00:00:03 PDT
