On 05/06/2023 17:22, Derek M Shore via AMBER wrote:
> Hi everyone,
> I am trying to install Amber22 on the Frontier supercomputer at Oak Ridge National Lab. The compute nodes are composed of AMD Optimized 3rd Gen EPYC CPUs and AMD MI250X GPUs. I can install AmberTools 23/Amber22 without GPU support without any problems (and the install passes the test suite). However, I run into problems when trying to install with GPU support.
> I’m following the AMD recipe found here: https://ambermd.org/GPUSupport.php
> When I try to install, I first get an error message related to nab2c, mpinab2c, and rule_parse (they aren’t being built). It is our understanding nab2c is no longer part of AmberTools, so I tried dropping it from the install. I did this by editing line #6 of amber22_src/cmake/RunnablePrograms.cmake:
> # original
> #set(EXECUTABLES_TO_IMPORT ucpp utilMakeHelp nab2c mpinab2c rule_parse)
> # dropping references to nab2c, mpiab2c rule_parse
> set(EXECUTABLES_TO_IMPORT ucpp utilMakeHelp)
> (if this is a bad idea, please let me know)
> When I do this, the install makes more progress, but then I run into library errors.
> [...]
> Derek
Dear all,
I'm also being unable to succeed with the installation. In fact, after running into the same problem, my initial cmake step does not even terminate, because I get an error saying that
CUDA_TOOLKIT_INCLUDE is NOTFOUND, which subsequently makes cmake fail without generating the build files. This happens whether I follow the steps in compile_with_hip.sh or if I adapt them to the cmake
options I normally use.
Any hint as to how to continue would be very appreciated.
Cheers,
Charo
--
Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
Design Hub
Coventry University Technology Park
Coventry CV1 5FB
UK
https://charodelgenio.weebly.com
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Received on Tue Jun 06 2023 - 03:00:03 PDT
