Re: [AMBER] MMPBSA.py error

From: Pratul Agarwal <pratul.agarwal-lab.org>
Date: Fri, 4 Jan 2019 14:28:09 +0000

One possible reason for encountering such an error is when code is compiled with flags incompatible with the executing processor. In the most extreme case, the processor at run time is not same (or has different features) than the processor used at compile time.

Check that your Linux cluster nodes have similar processors as the one used for compiling code.

Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Web: http://www.agarwal-lab.org/


On 1/4/2019 1:36 AM, Sundar wrote:

I observe the following error in my Linux cluster installation.

$ MMPBSA.py -O -i mmpbsa.in -cp com.top -rp rec.top -lp lig.top -y md_dry.nc

Loading and checking parameter files for compatibility...
Illegal instruction

Does anyone know why this happened?

Amber18 on my MacBook works fine.



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Received on Fri Jan 04 2019 - 06:30:04 PST
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