[Pw_forum] (no subject)

Thu Jul 20 17:08:20 CEST 2017

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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>>>>>>>>>>>>>
>>>>>>>>>>>>>
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>>>>>>>>>>>>
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>>>>>>>>>
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>>>>>>
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>>>>>
>>>>>
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>>>>
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>>>
>>>
>>>
>>> --
>>> Isaiah Abu Moses
>>> Graduate Student,
>>> Physics Department,
>>> University of Ibadan,
>>> Nigeria
>>>
>>> _______________________________________________
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>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>>
>>>
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>>
>>
>>
>> --
>> Isaiah Abu Moses
>> Graduate Student,
>> Physics Department,
>> University of Ibadan,
>> Nigeria
>>
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>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
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>

-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria
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