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Titusi Forum titusiforum at gmail.com
Thu Jul 20 03:16:24 CEST 2017


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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