Re: [AMBER] Problem with packmol-memgen when I try to installing Amber20 in GPU

From: David A Case <>
Date: Fri, 26 Mar 2021 07:58:58 -0400

On Fri, Mar 26, 2021, Dr. Gerardo Pérez Hernández wrote:

>Dear Amber users, I am having trouble installing Amber20 on a computer with
>Centos 7 and GPU. The problem lies in packmol-memgen and the Boost library,
>initially make install stops when it reaches 94%, after updating the
>packages and installing the latest version of cuda the compilation marks
>that it reaches 100% and almost at the end it stops because it still has
>problems with packmol-memgen and send me a message "-- Fixing Miniconda
>script shebangs"

I don't see any errors. The next step is to go to your installation
directory (usually in ../../amber20, relative to the ambe20_src/build
directory), type "source", and try running the tests.

>SyntaxWarning: "is" with a literal. Did you mean "=="?
> if not (c.isdigit() or c is " "):

Above is just a warning, although Stephan should probably look at this.

>-- Fixing Miniconda script shebangs

This is a typical message at the end.

It would be helpful to know what packages you had to update.

...good luck...dac

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Received on Fri Mar 26 2021 - 05:00:02 PDT
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