Hi Dulal,
Happy to help. Please read this previous thread carefully since this happened before.
http://archive.ambermd.org/202401/0116.html
I suspected that the -DCUDA_TOOLKIT_DOOT_DIR was not specified in your run_cmake file. That confuses the AMBER installation while it is trying to figure out “where CUDA is”.
Hope it helps. Wish all the best.
Zhen.
From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Thursday, September 12, 2024 at 9:18 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] amber24 (cuda) installation compilation error
Dear Experts,
Please give me a response. I am able to install the serial version of
amber24. Both MPI and cuda versions of amber24 can not be configured.
please help
On Wed, Sep 11, 2024 at 12:50 PM Dulal Mondal <
babunmondal.chem.kgpian.iitkgp.ac.in> wrote:
> Dear Experts,
> I am trying to install amber24 cuda in ubuntu 24. My run_cmake file is
> # Assume this is Linux:
>
> cmake $AMBER_PREFIX/amber24_src \
> -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
> -DCOMPILER=GNU \
> -DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE
> -DFORCE_DISABLE_LIBS=perlmol \
> -DDOWNLOAD_MINICONDA=TRUE \
> 2>&1 | tee cmake.log
>
> Then I type ./run_cmake
>
> But the configuration is incomplete.
>
>
> -- Amber will be installed to /home/srabani/Downloads/amber24/
> -- Configuring incomplete, errors occurred!
> See also
> "/home/srabani/Downloads/amber24_src/build/CMakeFiles/CMakeOutput.log".
> See also
> "/home/srabani/Downloads/amber24_src/build/CMakeFiles/CMakeError.log".
>
> I can not understand why the configuration is incomplete.
> *With regards,*
> *Dulal Mondal,*
> *Research Scholar,*
> *Department of Chemistry,*
> *IIT Kharagpur, Kharagpur 721302.*
>
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Thu Sep 12 2024 - 07:00:02 PDT
