Re: [AMBER] Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

From: David A Case <>
Date: Mon, 28 Jan 2019 07:59:18 -0500

On Fri, Jan 25, 2019, Qinghua Liao wrote:
>I am having this memory problem for my DFTB3/MM simulations of some
>small systems, dipeptide, ACE-X-NME.
>The dipeptide is centered in a water sphere of a radius of 25 angstrom,
>and the simulations were run with
>Amber 18 (compiled using gcc 8.2 and OpenMPI 3.1.3)
We would need to have the input files needed to try to reproduce the
problem. If you are running in parallel, please see if it makes a
difference if you try a serial run.


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Received on Mon Jan 28 2019 - 05:00:05 PST
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