Re: [AMBER] errors compiling amber11 for cuda

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 12 Apr 2011 19:25:32 -0700

> 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 |
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Received on Tue Apr 12 2011 - 19:30:09 PDT
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