Re: [AMBER] Error with installation, amber 17 on centos server

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Tue, 12 Dec 2017 17:22:14 +0000

You should do

source amber.sh

fist

Ps: viewing its content give you better idea.

Good luck
Hai

On Wed, Dec 13, 2017 at 12:16 AM Praneeth Bommisetti <
iampraneeth11.gmail.com> wrote:

> Hello Amber users,
>
> I am Praneeth from India and I have recently tried to install Amber 17
> (license) along with the Ambertools17 on a server running on Centos 6.6
>
> After configuring using './configure gnu', I gave command 'make install'
> and I have received the following output, from which I assumed the
> compilation was successful. I couldn't directly download the miniconda via
> amber but I have manually uploaded the miniconda directory into the
> amber16 directory located in the server. And subsequently I have used this
> python to compile the source code.
>
>
>
>
>
>
> *Installation of Amber16 (serial) is complete at Tue Dec 12 22:17:30 IST
> 2017.make[1]: warning: Clock skew detected. Your build may be
> incomplete.make[1]: Leaving directory
> `/home/rajaraman/ASMITA/amber16/src'make: warning: Clock skew detected.
> Your build may be incomplete.*
>
> In order to run test calculation, on serial version I have ran the
> following code located in /trest
>
> ./test_amber_serial.sh
>
> Which unfortunately give the following result:
>
>
>
>
>
>
>
>
>
> *Error: Could not import Amber Python modules! Probably your Amber
> Python environment was not set up correctly.We recommend adding the line:
> test -f /home/rajaraman/ASMITA/amber16//amber.sh && source
> /home/rajaraman/ASMITA/amber16//amber.sh (sh/bash/zsh)to your login shell
> resource file (e.g., ~/.bashrc or ~/.cshrc)*
>
> I have already added the above lines to the ~/.bashrc but still the same
> error shows up.
> I understand the there was some problem in setting up python environment,
> therefore I checked the 'PATH' variable in the config.h and the value is
> 'PYTHON=/home/rajaraman/ASMITA/amber16/bin/amber.python'
>
> Kindly let me know, how to debug the error, any help would be appreciated
>
> --
> *Regards, *
> *Praneeth Bommisetti, *
> *Final year undergraduate,*
> *Integrated M.Sc Chemistry, *
> *Indian Institute of Technology Bombay.*
> *T: +918424815358, id:praneeth.b.iitb.ac.in <id%3Apraneeth.b.iitb.ac.in>*
> _______________________________________________
> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Dec 12 2017 - 09:30:04 PST
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