Re: [AMBER-Developers] mmpbsa tests (perl and python)

From: MengJuei Hsieh <mengjueh.uci.edu>
Date: Wed, 31 Mar 2010 15:32:43 -0700

I did observe this malloc error in test.mm_pbsa (but not test.mmmpbsa_py) on
my old Mac boxes. (10.5.8, intel/ppc, gfortran-4.4.2). I am suspecting a
compiler bug on this and working on confirming my theory.

Best,

-- 
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
> From: case <case.biomaps.rutgers.edu>
>> In the test directory for mmpsba_py, edit the mmpbsa.in (printed
>> within Run) to say istrng=0 instead of istrng=0.1.  This will
>> certainly make the numbers different, but do you still get the
>> outrageous memory requirements?
> 
> No.  I have 4 Gb of memory on my MacBook Pro, but it's at 10.5.8, not 10.6.
> Not sure why the malloc is failing, but I probably won't be the only one
> to experience this....
> 
> ....dac
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Received on Wed Mar 31 2010 - 16:00:03 PDT