Re: [AMBER-Developers] more on Scott's problems with pmemd

From: Scott Le Grand <varelse2005.gmail.com>
Date: Tue, 8 Mar 2022 09:55:17 -0800

OK, so this should enable pmemd.cuda?

./run_cmake -DCUDA

Nope.

-- Features:
-- MPI: OFF
-- OpenMP: OFF
-- CUDA: OFF
-- Build Shared Libraries: ON
-- Build GUI Interfaces: ON
-- Build Python Programs: ON
-- -Python Interpreter: Internal Miniconda (version .)
-- Build Perl Programs: ON
-- Build configuration: RELEASE
-- Target Processor: x86_64
-- Build Documentation: OFF
-- Sander Variants: normal LES API LES-API
-- Install location: /media/work/slegrand/amber20/
-- Installation of Tests: ON

Also, a bountiful tsunami of unacceptable warning messages during "make
install" culminating in bizarro fortran module dependency nonsense.

How do I separately build pmemd.cuda_* without all of its annoying friends
I don't want to invite to the party?

On Tue, Mar 8, 2022 at 9:38 AM Scott Le Grand <varelse2005.gmail.com> wrote:

> It was the CMake cache. More stupid penny ante pennysaving measures for
> great frustration I guess. Attempting build now
>
> On Tue, Mar 8, 2022 at 9:06 AM David A Case <david.case.rutgers.edu>
> wrote:
>
>> On Tue, Mar 08, 2022, Scott Le Grand wrote:
>>
>> >So it's failing in verify compiler config but it wasn't printing anything
>> >about it until I went on a crash course learning as much about cmake as I
>> >could in order to dump all the state variables. Once I started dumping
>> the
>> >state variables it started printing out the correct error at line 24.
>>
>> That's weird. If I try to run with an old compiler, it gives me an error
>> message, and I don't think I'm doing anything to dump out state variables.
>>
>> I've modified the error to put a row of "****" before and after, to make
>> the
>> error message stand out more clearly.
>>
>> ....dac
>>
>>
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>>
>
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