[AMBER] Dynamic at high temperature

From: Imma Speciale <i.spec88.gmail.com>
Date: Fri, 25 Nov 2016 12:49:01 +0100


I have a problem about the running of the dynamics! I want to visualize
what happens when my molecule is at high temperature, thus I have put in
the first script md1.in tempi=0, temp0=300, in md2.in tempi=300, temp0=300
and in the md3.in (the real dynamic) tempi=300, temp0=500. In this way the
dynamic run without problems. But when I change the final temperature with
700 or 800 K, the dynamic run and after 900/1000 ps it crashes!! In
terminal I receive this message:

cudaMemcpy GpuBuffer::Download failed unspecified launch failure

What I have to do?? Where I make a mistake?

Thanks in advance

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Received on Fri Nov 25 2016 - 04:00:03 PST
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