Re: [AMBER] Problem with pmemd.cuda

From: ros <ros.servidor.unam.mx>
Date: Mon, 19 Jul 2010 15:14:18 -0500

Thanks for the help!

Just to double check.
Could you provide me the lines that I have to add to .bashrc and .profile. ?

Maybe Im messing that up.

Thanks again!

Rodrigo


2010/7/19, Levi Pierce <levipierce.gmail.com>:
> 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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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> --
> ==
> Levi C.T. Pierce, UCSD Graduate Student
> McCammon Laboratory
> mccammon.ucsd.edu <http://mccammon.ucsd.edu/%7Esnichols>
> w: 858-534-2916
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>

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Received on Mon Jul 19 2010 - 13:30:03 PDT
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