Re: [AMBER] Problem with heating the system

From: David A Case <>
Date: Wed, 24 Apr 2019 07:47:18 -0400

On Wed, Apr 24, 2019, ATUL KUMAR wrote:

>Keep DNA fixed with weak restraints

Aside: these are actually very strong restraints, not weak ones.

>cudaMalloc GpuBuffer::Allocate failed out of memory

Run your job on the CPU version of pmemd: the CPU version generally
gives more helpful error messages. You don't say how big your system
is: it could really just be that you don't have enough memory. Hard to
say without knowin more.


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Received on Wed Apr 24 2019 - 05:00:03 PDT
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