[Pw_forum] (no subject)

[Rajesh]

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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