Spot on again. Running the "manually" with supplied parameters worked.
(A couple of "failures" reported; I'll check into the causes later.) I
think I'll not bloody my forehead trying to figure out why the makefile
approach didn't work.
Thanks again to the incisive help.
Bob W.
On 4/12/11 10:25 PM, Ross Walker wrote:
>> But there remains a glitch in the `make test.cuda` part. The first
>> time
>> I ran it (see output copied below), it complained that
>> "../../../bin/pmemd.cuda_: Command not found." Indeed, in
>> $AMBERHOME/bin there is pmemd.cuda_SPDP executable to which pmemd.cuda
>> is linked, but no pmemd.cuda_. I thought I could out-fox that by
>> putting another link in that directory, namely of pmemd.cuda_SPDP to
>> pmemd.cuda_. But simply running make test.cuda again gives the same
>> error. I don't follow the intricacies of the 'test.cuda' makefile. Do
>> I need to do some sort of a "make clean" before I can run the 'make
>> test.cuda' a second time?
> Hmmmm...
>
> The test script does a make clean before running so it is not that. Essentially 'make test.cuda' just runs the shell script called ./test_amber_cuda.sh - this takes 2 arguments as $1 and $2. $1 is the GPU ID and $2 the precision model. In the absence of these being specified it should default to -1 and SPDP and should print the following messages:
>
> "Using default GPU_ID = -1"
>
> "Using default PREC_MODEL = SPDP"
>
> Do you see these?
>
> The behavior you are seeing suggests to me that somehow PREC_MODEL is set somewhere or some kind of command line arguments are being passed. As a workaround you could try doing:
>
> cd $AMBERHOME/test
> make clean
> ./test_amber_cuda.sh -1 SPDP
>
> And see if that runs ok.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Assistant Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not be read every day, and should not be used for urgent or sensitive issues.
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Received on Tue Apr 12 2011 - 20:30:03 PDT
