Re: [AMBER] Help: make test fails during parallel amber installation

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Fri, 1 Jul 2016 01:34:47 -0400

Hi

I see the below message in your log file

mpirun has detected an attempt to run as root...

Can you try to fix that (by running mpi from user account?)

Hai

On Thu, Jun 30, 2016 at 11:52 PM, Dr. M. K. Yadav <manojiids.gmail.com>
wrote:

> Dear Friend,
>
> I am trying to install AmberTools15 and amber14 on my Hp-Pavillion DV4
> laptop.
> Installation is successful but make test command is giving lots of errors.
> I am giving here exact instruction I have used for installation and also
> enclosing the log file. Please save me ...
>
>
>
> 1.
>
> Extract AmberTool15 and Amber14 in “Home/manojiids/” folder
> 2.
>
> Now user folder i.e. manojiids contains two file viz. amber14 and
> amber14 (2)
> 3.
>
> Next, set AMBERHOME environment variable: export
> AMBERHOME=/home/manojiids/amber14 (in home/.bashrc file using gedit)
> 4.
>
> install some compilers and other libraries. sudo apt-get install csh
> flex gfortran g++ xorg-dev \ zlib1g-dev libbz2-dev patch python-tk
> python-matplotlib
> 5.
>
> ./configure -mpi gnu
> 6.
>
> source /home/manojiids/amber14/amber.sh
>
> test -f /home/manojiids/amber14/amber.sh && source
> /home/manojiids/amber14/amber.sh
> 7.
>
> make install
> 8.
>
> export DO_PARALLEL=”mpirun -np 4”
> 9.
>
> make test
> 10.
>
> Test fails then try this
>
> extract Openmpi-1.10.3 file in amber14>AmberTools>src
>
> Now change the mpi version in configure_openmpi file and
>
> ./configure openmpi gnu
> 11.
>
> Next,
>
> export DO_PARALLEL=”mpirun -np 4”
>
> make test
>
>
>
>
> * ------ With Regards ------- Dr. Manoj K. Yadav*
> (PhD Bioinformatics, F.S.L.Sc.)
> Assistant Professor
> Medical Biotechnology
> Department of Biochemistry,
> Pt. J.N.M. Medical College,
> Raipur (C.G.)-INDIA
> +91 7581911917
> +91 8004356248
>
> "Until you spread your wings, you'll have no idea how far you can fly"
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Thu Jun 30 2016 - 23:00:02 PDT
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