AMBER Archive (2009)

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

From: David A. Case (
Date: Thu Jan 08 2009 - 07:44:52 CST

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

>>> 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/ 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, or skip this particular test.
Probably depends on whether you are planning to run ABMD or not.


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