[AMBER] Pressure tensor components in the GPU code.

From: James Moraes de Almeida <james.almeida.page>
Date: Mon, 7 Jun 2021 19:06:23 -0300

Dear Amber users and developers,

I am trying to use Amber for interfacial tension calculations.
Thus, I need the diagonal components of the pressure tensor.
For the CPU code I was able to identify the press() array and print the
components. Although, for the GPU version I could not find anything
similar. I do not know much of cuda, so it can be something obvious but I
cannot see.
Do anyone know where on which array the GPU version of pmemd stores the
pressure tensor?

Yours sincerely,
James Moraes de Almeida
Universidade Federal do ABC
Centro de Ciências Naturais e Humanas
Santo André - São Paulo - Brazil
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Received on Mon Jun 07 2021 - 15:30:02 PDT
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