CP2K installation error.

Kalyanashis Jana kalyan.... at gmail.com
Mon Jul 27 16:26:51 CEST 2015


Thank you very much.. I will try with the install_cp2k_toolchain.sh
<http://svn.code.sf.net/p/cp2k/code/trunk/cp2k/tools/toolchain/install_cp2k_toolchain.sh>
and
will inform you.
Thanks,
Kalyanashis Jana

On Mon, Jul 27, 2015 at 7:34 PM, Alfio Lazzaro <alfio.... at gmail.com>
wrote:

> I'm sorry, I don't have experience with Intel MPI... Is there any reason
> why you are using Intel tools? Anyway, probably someone else can answer
> better to your question.
> BTW, you can find the toolchain script here:
>
> http://svn.code.sf.net/p/cp2k/code/trunk/cp2k/tools/toolchain/
>
> You can probably move to a new CP2K version and use the toolchain to
> compile everything.
>
> Alfio
>
>
>
> 2015-07-27 15:29 GMT+02:00 Kalyanashis Jana <kalyan.... at gmail.com>:
>
>> Okay. I have compiled the intel MPI in /home1/bganguly/intel directory.
>> During installtion, it has asked whether I would like to install in
>> /home1/bganguly/intel directory. After that, I could not find out the mkl
>> and other directories in the intel directory. But MPI command did not find
>> out 'mpi' path also.. Is there any other way to compile MPI and MKL
>> library?
>> Thanks in advance,
>> Kalyan
>>
>> On Mon, Jul 27, 2015 at 6:18 PM, Alfio Lazzaro <alfio.... at gmail.com>
>> wrote:
>>
>>> OK, then you don't have MPI installed on your system. Could you ask to
>>> your system administrator where are the MPI wrappers for compilation?
>>>
>>> Alfio
>>>
>>> 2015-07-27 14:43 GMT+02:00 Kalyanashis Jana <kalyan.... at gmail.com>:
>>>
>>>> Hello Alfio,
>>>>
>>>>
>>>> Is there any other command inside:
>>>>>
>>>>> /opt/sgi/mpt/mpt-2.01/bin/mpirun
>>>>>
>>>>> ?
>>>>>
>>>>
>>>>
>>>> Other command are:
>>>> mpiexec_mpt  mpiexec_my_mpt  mpirun  mpt_forward  omplace  rail-config
>>>>
>>>>
>>>> We are looking for mpif90...
>>>>>
>>>>
>>>> But 'mpif90' is not there...
>>>>
>>>>
>>>>
>>>>> What I can suggest to you is to get everything from CP2K installation
>>>>> by using the toolchain tool under
>>>>> tools/toolchain
>>>>>
>>>>> Just run the script install_cp2k_toolchain.sh.
>>>>> It will take a while and it will install everything in your area.
>>>>>
>>>> Sorry, but there is no install_cp2k_toolchain.sh file in the tools
>>>> directory. Even there is no "toolchain" directory
>>>> Available files in tools directory are
>>>> "addSynopsis.py           cp2kController           Fun2D
>>>>      make_reference.py        replacer.py
>>>> analyze_gfortran_ast.py  cp2k-wisdom              get_arch_code
>>>>    manual                   RestartTools
>>>> ASE                      cubecruncher             get_revision_number
>>>>    maple2f90.py             robo2doxy.py
>>>> autotune_grid            dbcsr_test               hfx_tools
>>>>    normalizeFortranFile.py  scriptmini
>>>> base64                   diffEpsilon.py           input_converter.py
>>>>     plot_mem_from_trace.py   svn2cl
>>>> build_libsmm             dist_mat.f90             input_editing
>>>>    prepare_ci.py            testUtils.py
>>>> buildUtils.py            do_replace_wp            input_parser.py
>>>>    prepareDoxy.py           trajana.f90
>>>> checkRet.py              f77_interface
>>>>  instantiateTemplates.py  prettify.py
>>>> clean_cwd.sh             find_bitrot_code.py      lowerPrecision.py
>>>>    QS
>>>> convert_to_dp.py         find_openmp_mistakes.py  makedepf90
>>>>     regtesting"
>>>>
>>>>
>>>> Thank you so much,
>>>> Kalyanashis Jana
>>>>
>>>
>>>
>>>
>>> --
>>> Alfio Lazzaro
>>> skype account: alfio.lazzaro
>>> email: alfio.... at gmail.com (per messaggi a cui prometto di
>>> rispondere in qualche giorno, ma rispondo! :) )
>>>
>>
>>
>>
>> --
>> Thanks with regards
>> Kalyanashis Jana
>>
>
>
>
> --
> Alfio Lazzaro
> skype account: alfio.lazzaro
> email: alfio.... at gmail.com (per messaggi a cui prometto di rispondere
> in qualche giorno, ma rispondo! :) )
>



-- 
Thanks with regards
Kalyanashis Jana
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