Re: [AMBER] Test result of amber22 installation

From: Yeng-Tseng Wang via AMBER <>
Date: Wed, 7 Sep 2022 08:11:48 +0800

Dear all,
This is my error and could you tell me how to fix it ?
-- Found CUDA: /usr/local/cuda (found version "11.7")
-- CUDA version 11.7 detected
-- Configuring for SM3.5, SM5.0, SM5.2, SM5.3, SM6.0, SM6.1, SM7.0, SM7.5
and SM

Error: Incompatible CUDA and GNU versions
David A Case via AMBER <> 於 2022年9月7日 週三 凌晨3:17寫道:
> On Mon, Sep 05, 2022, Dulal Mondal via AMBER wrote:
> >Recently, I have installed amber22 in our departmental cluster. After the
> >successful installation the parallel test experienced the attached errors.
> >The related diff file is also attached. I am not sure if this is anything
> >associated with the errors in installation. Can you check the files and
> >let me know if I can safely ignore these errors?
> These look innocuous to me.  Parallel results on CPU's are not exactly
> reproducible over different numbers of processors.  Amber's test suite
> generally tests 2 MPI threads.
> If you every actually decide to run a kmmd or bbmd calculations, you could
> revisit how results depend on the number of MPI threads.
> ...good luck...dac
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Received on Tue Sep 06 2022 - 17:30:03 PDT
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