Re: [AMBER] Problem with pmemd.cuda

From: Levi Pierce <levipierce.gmail.com>
Date: Mon, 19 Jul 2010 12:49:19 -0700

Hello,

  I am running pmemd.cuda on both 10.04 and 9.04 ubuntu 64 bit. I can run
both make test.cuda and the test script directly. I am using a GTX270 but
it sounds like a path issue to me. You could try to run one of the tests
individually
but again this would require some script hacking. Double check that in the
terminal you are running the test you have properly set the AMBERHOME
environment variable.

~LP

On Mon, Jul 19, 2010 at 12:30 PM, case <case.biomaps.rutgers.edu> wrote:

> On Mon, Jul 19, 2010, ros wrote:
> >
> > I tried the make test.cuda with the following errors:
> >
> > ros.cuda:/usr/local/amber11/test$ make test.cuda
> > ./test_amber_cuda.sh
> > [: 35: unexpected operator
> > [: 42: unexpected operator
>
> OK...I guess my workarounds for the above errors don't really work. You
> have
> to get the test_amber_cuda.sh script to work somehow. Problem is, I don't
> have a clue about why it is failing.
>
> My first guess was that there was some bashism I couldn't see, so that
> Ubuntu's /bin/sh was not working correctly. I suggested changing "bin/sh"
> to "bin/bash" on the first line. It's not clear whether you tried that or
> not.
>
> The other solution is to edit the code around lines 30-42 to set the
> correct
> values; you would need to know a (very) little about shell scripting to do
> that.
>
> It would be of interest to know if someone on the list has access to a
> 64-bit
> version of Ubuntu 10.04, and can see if the "test_amber_cuda.sh" script
> fails (in the manner shown above) for them as well.
>
> ...dac
>
>
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>



-- 
--
==
Levi C.T. Pierce,  UCSD Graduate Student
McCammon Laboratory
mccammon.ucsd.edu <http://mccammon.ucsd.edu/%7Esnichols>
w: 858-534-2916
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Received on Mon Jul 19 2010 - 13:00:04 PDT
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