Re: AMBER: LINMIN Failure vs Parallelization

From: linfu <>
Date: Thu, 13 Sep 2007 18:24:10 +0800

>Dear all,
>I am using amber9 on Linux (RHEL4) and Mac (OSX).
>Recently i minimized a protein, vth its substrates and ions bound to it, u
>sing parallel version of amber9 on RHEL 4 with 2 processors and got an error
>of LINMIN failure.
in LINUX we also got the error.
however, run smoothly in SGI300 until convergent.
>After this error the minimization had stopped.
>Then i transferred the same job on Mac with parallel version of sander
>using 4 processors.
>On Mac the minimization was smooth and finished without any LINMIN failures..
>*What could be the possible cause for this?*
>It might be regrding
>the architecture of the two machines but i want to know how has this
>been possible..
>i mean considering the different machines and different results!!
>Kindly shed some light on it....

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Received on Sun Sep 16 2007 - 06:07:20 PDT
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