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