Re: [AMBER-Developers] near-final testing

From: MengJuei Hsieh <mengjueh.uci.edu> Date: Mon, 12 Apr 2010 17:33:22 -0700

-- 
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
> From: Scott Brozell <sbrozell.rci.rutgers.edu>
> Date: Mon, 12 Apr 2010 18:16:46 -0400
> Subject: Re: [AMBER-Developers] near-final testing
> 
> Hi,
> 
> Note that the patches from this thread:
> Date: Wed, 7 Apr 2010 15:58:39 -0700
> From: Mengjuei Hsieh <mengjueh.uci.edu>
> Subject: [AMBER-Developers] sander_pbsa_* test cases update
> 
> did not fix this pgi 9 issue in serial:
> possible FAILURE:  check mdout.min_bc5_solv2.dif
> /tmp/pbstmp.3024735/amber11/test/sander_pbsa_lpb
> 68c68
> <       1       6.0437E+2     2.4119E+2     8.2853E+2     C2          1
> ---
>>       1              NaN     2.4119E+2     0.     C2          1
> 70c70
> <  VDWAALS =       -0.5062  EEL     =      -48.9226  EPB        =
> -90.3631
> ---
>>  VDWAALS =       -0.5062  EEL     =      -48.9226  EPB        =           NaN
> 
> Mengjuei, do you have access to a pgi compiler ?
> 
> thanks,
> Scott
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