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 <titusifo...@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" <imose...@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 <titusifo...@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" <imose...@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 <titusifo...@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 <creativeidlemi...@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 < >>>>> expressgu...@gmail.com> wrote: >>>>> >>>>>> may i know what is this error about ?? >>>>>> >>>>>> On Tue, Jul 18, 2017 at 11:19 PM, Rajesh <creativeidlemi...@gmail.com >>>>>> > wrote: >>>>>> >>>>>>> These are libraries you should install. You can Google how to >>>>>>> install these >>>>>>> >>>>>>> On Jul 18, 2017 22:58, "Shishir Timilsena" <expressgu...@gmail.com> >>>>>>> wrote: >>>>>>> >>>>>>>> what about scalapack ??? do we need to install it too ??? >>>>>>>> >>>>>>>> >>>>>>>> >>>>>>>> On Tue, Jul 18, 2017 at 10:13 PM, Rajesh < >>>>>>>> creativeidlemi...@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 < >>>>>>>>> expressgu...@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 < >>>>>>>>>> creativeidlemi...@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 < >>>>>>>>>>> expressgu...@gmail.com> wrote: >>>>>>>>>>> >>>>>>>>>>>> may i know what is openmpi and [value] ??? >>>>>>>>>>>> >>>>>>>>>>>> On Tue, Jul 18, 2017 at 9:29 PM, Rajesh < >>>>>>>>>>>> creativeidlemi...@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 < >>>>>>>>>>>>> expressgu...@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.timils...@gmail.com >>>>>>>>>>>>>> phone: +977 9845196469 <+977%20984-5196469> >>>>>>>>>>>>>> >>>>>>>>>>>>>> >>>>>>>>>>>>>> _______________________________________________ >>>>>>>>>>>>>> Pw_forum mailing list >>>>>>>>>>>>>> Pw_forum@pwscf.org >>>>>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> _______________________________________________ >>>>>>>>>>>>> Pw_forum mailing list >>>>>>>>>>>>> Pw_forum@pwscf.org >>>>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> _______________________________________________ >>>>>>>>>>>> Pw_forum mailing list >>>>>>>>>>>> Pw_forum@pwscf.org >>>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> _______________________________________________ >>>>>>>>>>> Pw_forum mailing list >>>>>>>>>>> Pw_forum@pwscf.org >>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>>>>>>> >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> _______________________________________________ >>>>>>>>>> Pw_forum mailing list >>>>>>>>>> Pw_forum@pwscf.org >>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>>>>>> >>>>>>>>> >>>>>>>>> >>>>>>>>> _______________________________________________ >>>>>>>>> Pw_forum mailing list >>>>>>>>> Pw_forum@pwscf.org >>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>>>>> >>>>>>>> >>>>>>>> >>>>>>>> _______________________________________________ >>>>>>>> Pw_forum mailing list >>>>>>>> Pw_forum@pwscf.org >>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>>>> >>>>>>> >>>>>>> _______________________________________________ >>>>>>> Pw_forum mailing list >>>>>>> Pw_forum@pwscf.org >>>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>>> >>>>>> >>>>>> >>>>>> _______________________________________________ >>>>>> Pw_forum mailing list >>>>>> Pw_forum@pwscf.org >>>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>>> >>>>> >>>>> >>>>> _______________________________________________ >>>>> Pw_forum mailing list >>>>> Pw_forum@pwscf.org >>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>> >>>> >>>> >>>> _______________________________________________ >>>> Pw_forum mailing list >>>> Pw_forum@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@pwscf.org >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >>> >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> Pw_forum@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@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria
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