[Pw_forum] (no subject)

Thu Jul 20 21:31:45 CEST 2017

Just to clarify, loosing internet connection does not break your
simulation. Your simulation will continue to run even if you close your
browser or shut down your laptop. You can go back to same model and click
on "Visulaizer" button to reconnect to your job.

On Thu, Jul 20, 2017 at 8:08 AM, Isaiah Moses <imoses87 at gmail.com> wrote:

> It will be great if that can be checked for the sake of people like me
> whose internet connection is not too good.
>
> Thanks a lot,
> Isaiah
>
> On Thu, Jul 20, 2017 at 4:02 PM, Titusi Forum <titusiforum at gmail.com>
> wrote:
>
>> That happens when your internet connection keeps breaking.
>> Let me take a look if we really need to do that even if connection breaks.
>>
>> On Jul 20, 2017 8:00 AM, "Isaiah Moses" <imoses87 at gmail.com> wrote:
>>
>>> Great Titusi!
>>> I appreciate your response.
>>>
>>> I shall give it a trial.
>>>
>>> But I'm being logged out too frequently.
>>>
>>> In a minute or two I will have to log in again and again.
>>>
>>> Is there a way of disallowing that?
>>>
>>> Kind regards,
>>> Isaiah
>>>
>>> On Thu, Jul 20, 2017 at 3:43 PM, Titusi Forum <titusiforum at gmail.com>
>>> wrote:
>>>
>>>> Easiest way to get started with Kogence might be to "Copy" an existing
>>>> example first. For example, you might want to copy this example :-
>>>> https://kogence.com/app/jobs/files/dashboard/-316%5EBand_str
>>>> ucture_and_charge_density_in_110_plane_of_Si
>>>>
>>>> After copying, click on the "Files" tab. Now double-click on the
>>>> run_example.sh file in that example. This will open the file in a code
>>>> editor. Now you can edit that file.
>>>>
>>>> Look at line #98. cat > si.scf.in << EOF. From this line to line #131,
>>>> we are creating *.in file. You can replace these files with your *.in file
>>>> content here. Make sure you don't change the file paths such as path to
>>>> pseudo etc. Leave those lines as it is.
>>>>
>>>> This is hsould get you going. Let me know if this does not work.
>>>>
>>>> Answer to your specific questions:-
>>>>
>>>> For uploading your input file you clicked on the "+" button, right? The
>>>> same "+" button shows options for creating a directory as well.
>>>> See instructions here :-
>>>> https://kogence.com/app/category/Quantum_Espresso
>>>> Look at Section: "Create a New Quantum Espresso Project from Scratch"
>>>> -> "Step 2"
>>>>
>>>> For the software command, click on "Settings" in top/right toolbar
>>>> (third level). It will open a forth level of toolbar with two subtabs --
>>>> one for "Machines" and other for "Software". In the "Software" subtab,
>>>> select "Quantum Espresso" from the dropdown and type "./run_example.sh" in
>>>> the empty text box. We run QE through shell script. Your *.in file is
>>>> inside our *.sh file. Open any *.sh file on Kogence to see where *.in goes.
>>>>
>>>>
>>>>
>>>>
>>>>
>>>> On Jul 20, 2017 5:39 AM, "Isaiah Moses" <imoses87 at gmail.com> wrote:
>>>>
>>>> Hi Titusi Forum,
>>>> I'm trying to run calculations on Kogence.com using quantum espresso
>>>> but I'm not getting what command to give.
>>>>
>>>> For instance, if I want to run an scf calculation?
>>>>
>>>> Also, after uploading my input file, how do I create a 'directory'
>>>> where I can save other files like pseudo potentials.
>>>>
>>>> I shall appreciate your comment
>>>>
>>>>
>>>> On Thu, Jul 20, 2017 at 2:16 AM, Titusi Forum <titusiforum at gmail.com>
>>>> wrote:
>>>>
>>>>> Try running your simulations on kogence.com.
>>>>> You would avoid dealing with all these issues.
>>>>>
>>>>> On Tue, Jul 18, 2017 at 7:33 PM, Rajesh <creativeidleminds at gmail.com>
>>>>> wrote:
>>>>>
>>>>>> This may help
>>>>>> https://www.physicsforums.com/threads/fortran-runtime-error-
>>>>>> end-of-file.716352/
>>>>>>
>>>>>> On Tue, Jul 18, 2017 at 11:33 PM, Shishir Timilsena <
>>>>>> expressgucci at gmail.com> wrote:
>>>>>>
>>>>>>> may i know what is this error about ??
>>>>>>>
>>>>>>> On Tue, Jul 18, 2017 at 11:19 PM, Rajesh <
>>>>>>> creativeidleminds at gmail.com> wrote:
>>>>>>>
>>>>>>>> These are libraries you should install. You can Google how to
>>>>>>>> install these
>>>>>>>>
>>>>>>>> On Jul 18, 2017 22:58, "Shishir Timilsena" <expressgucci at gmail.com>
>>>>>>>> wrote:
>>>>>>>>
>>>>>>>>> what about scalapack ??? do we need to install it too ???
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> On Tue, Jul 18, 2017 at 10:13 PM, Rajesh <
>>>>>>>>> creativeidleminds at gmail.com> wrote:
>>>>>>>>>
>>>>>>>>>> https://www.open-mpi.org/software/ompi/v2.1/downloads/openmp
>>>>>>>>>> i-2.1.1.tar.gz
>>>>>>>>>>
>>>>>>>>>> Steps to install
>>>>>>>>>>
>>>>>>>>>> Step – 1 :Download the latest openmpi package from here ;
>>>>>>>>>>
>>>>>>>>>> Step- 2: Extract the openmpi package and open the directory ;
>>>>>>>>>>
>>>>>>>>>> Step – 3: Configure the installation file
>>>>>>>>>>
>>>>>>>>>> ./configure --prefix="/home/user/.openmpi"
>>>>>>>>>>
>>>>>>>>>> Step – 4: Install the program
>>>>>>>>>>
>>>>>>>>>> make && sudo make install
>>>>>>>>>>
>>>>>>>>>> Step – 5: Setup environment path and test mpirun
>>>>>>>>>> add these lines to bash.bashrc and profile in /etc folder
>>>>>>>>>>
>>>>>>>>>> PATH="$PATH:/home/user/.openmpi/bin"
>>>>>>>>>> LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/home/user/.openmpi/lib/"
>>>>>>>>>>
>>>>>>>>>> To test
>>>>>>>>>> run command mpirun and you should get te output
>>>>>>>>>>
>>>>>>>>>> If everything goes fine, then you should see the following
>>>>>>>>>> message :
>>>>>>>>>>
>>>>>>>>>> mpirun could not find anything to do
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> On Tue, Jul 18, 2017 at 9:53 PM, Shishir Timilsena <
>>>>>>>>>> expressgucci at gmail.com> wrote:
>>>>>>>>>>
>>>>>>>>>>> ok i will try to install it
>>>>>>>>>>> can u provide the link for it.
>>>>>>>>>>> m using ubunut
>>>>>>>>>>>
>>>>>>>>>>> On Tue, Jul 18, 2017 at 9:56 PM, Rajesh <
>>>>>>>>>>> creativeidleminds at gmail.com> wrote:
>>>>>>>>>>>
>>>>>>>>>>>> openmpi is a software that you will have to install first. Then
>>>>>>>>>>>> compile qe with command
>>>>>>>>>>>>  ./configure -enable-opennmpi. Only then you can use parallel
>>>>>>>>>>>> version of qe. value is the number of processor you want to run  the
>>>>>>>>>>>> process.
>>>>>>>>>>>>
>>>>>>>>>>>> On Tue, Jul 18, 2017 at 9:20 PM, Shishir Timilsena <
>>>>>>>>>>>> expressgucci at gmail.com> wrote:
>>>>>>>>>>>>
>>>>>>>>>>>>> may i know what is openmpi and [value]  ???
>>>>>>>>>>>>>
>>>>>>>>>>>>> On Tue, Jul 18, 2017 at 9:29 PM, Rajesh <
>>>>>>>>>>>>> creativeidleminds at gmail.com> wrote:
>>>>>>>>>>>>>
>>>>>>>>>>>>>> for openmpi it is mpirun -np [value] pw.x  <scf.in>  scf.out
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> On Tue, Jul 18, 2017 at 8:29 PM, Shishir Timilsena <
>>>>>>>>>>>>>> expressgucci at gmail.com> wrote:
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> May i know what are the quantum espresso codes in Parallel
>>>>>>>>>>>>>>> machine ??
>>>>>>>>>>>>>>> in serial i use, pw.x <scf.in> scf.out what is in parallel
>>>>>>>>>>>>>>> ??
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> Shishir Timilsena, M.Sc
>>>>>>>>>>>>>>> St.xavier's College
>>>>>>>>>>>>>>> Kathmandu,Nepal
>>>>>>>>>>>>>>> e-mail: shishir.timilsena at gmail.com
>>>>>>>>>>>>>>> phone: +977 9845196469 <+977%20984-5196469>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> _______________________________________________
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>>>>>>>>>>>>>>> Pw_forum at pwscf.org
>>>>>>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
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>>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
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>>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>>
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>>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>>
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>>>>>>>>>>
>>>>>>>>>>
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>>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> _______________________________________________
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>>>>>>>>>
>>>>>>>>
>>>>>>>> _______________________________________________
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>>>>>>>>
>>>>>>>
>>>>>>>
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>>>>>>>
>>>>>>
>>>>>>
>>>>>> _______________________________________________
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>>>>>> Pw_forum at pwscf.org
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>>>>>>
>>>>>
>>>>>
>>>>> _______________________________________________
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>>>>> Pw_forum at pwscf.org
>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>
>>>>
>>>>
>>>>
>>>> --
>>>> Isaiah Abu Moses
>>>> Graduate Student,
>>>> Physics Department,
>>>> University of Ibadan,
>>>> Nigeria
>>>>
>>>> _______________________________________________
>>>> Pw_forum mailing list
>>>> Pw_forum at pwscf.org
>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>
>>>>
>>>>
>>>> _______________________________________________
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>>>> Pw_forum at pwscf.org
>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>
>>>
>>>
>>>
>>> --
>>> Isaiah Abu Moses
>>> Graduate Student,
>>> Physics Department,
>>> University of Ibadan,
>>> Nigeria
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>> _______________________________________________
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>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Isaiah Abu Moses
> Graduate Student,
> Physics Department,
> University of Ibadan,
> Nigeria
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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