Re: [AMBER] Problem with pmemd.cuda

From: ros <ros.servidor.unam.mx>
Date: Tue, 20 Jul 2010 00:53:36 -0500

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 Mon Jul 19 2010 - 23:00:03 PDT
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