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/openmpi-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 >
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