AMBER Archive (2009)

Subject: Re: [AMBER] how many processors for parallel test

From: michael bane (michael.bane_at_manchester.ac.uk)
Date: Thu Jan 08 2009 - 07:56:59 CST

On 8 Jan 2009, at 13:44, David A. Case wrote:

> On Thu, Jan 08, 2009, michael bane wrote:
>>
>> I agree it's not an error, but I was expecting the test to run all
>> codes
>
> The test suite does run all the codes, just not every test in every
> environment.

Ah, it wasn't immediately transparent that was the issue! I guess I
should go back to using 4 processes

>
>
>>>> Finally, I also see the error
>>>> ** Error ** : could not determine NUMPROCS in
>>>> '/software/horace/applications/amber/amber10/test/ncsu/premd'
>>>
>>> We would need to know what your DO_PARALLEL variable is set to: see
>>> $AMBEHROME/test/ncsu/common.sh. NUMPROCS is extracted from this
>>> variable by a script that may not cover all possibilities; or your
>>> environment variable might be wrong...
>>
>> For our IA64 box to run interactively we use 'prun' so my DO_PARALLEL
>> was set
>> export DO_PARALLEL='prun -B4 -n2 -p login'
>
> You will either have to modify common.sh, or skip this particular
> test.
> Probably depends on whether you are planning to run ABMD or not.

ta, M

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