We have both the option but I installed it through impi. That was working fine before. I had done lot of calculation using mpi parallelisation . This error is all of sudden . Anyway I will talk to our HPC administrator regarding the issue and let you know if it works . Thank you very much for all the prompt response.
Kind Regards, Paresh On Sat, Sep 24, 2016 at 9:37 PM, Laurence Marks <l-ma...@northwestern.edu> wrote: > Then the problem is your mpi installation. Please check with a sys admin > what you are using, for instance openmpi or impi. For the different cases > you need different options. This has nothing to do with the mixer. > > On Sat, Sep 24, 2016 at 11:05 AM, Paresh Chandra Rout < > pareshchan...@iiserb.ac.in> wrote: > >> It works without MPI . But with MPI the problem still there. >> >> On Sat, Sep 24, 2016 at 9:14 PM, Laurence Marks <l-ma...@northwestern.edu >> > wrote: >> >>> Do you mean that with a fresh directory it works fine without mpi, fails >>> with mpi or what? >>> >>> If it works fine without mpi, not with mpi then you have something wrong >>> with your mpi and should talk to a sys admin to check your compilation >>> options and what mpi to use. >>> >>> This is starting to sound like you made an error in your initialization. >>> >>> On Sat, Sep 24, 2016 at 10:24 AM, Paresh Chandra Rout < >>> pareshchan...@iiserb.ac.in> wrote: >>> >>>> Hello Sir, >>>> >>>> I also tried with the new mixer but did not improve anything. I started >>>> with a fresh directory but in headnode of HPC with k-point paralleisation >>>> (i.e sequentialy) and it works fine. >>>> >>>> On Sat, Sep 24, 2016 at 7:47 PM, Laurence Marks < >>>> l-ma...@northwestern.edu> wrote: >>>> >>>>> Dear Lyudmila, >>>>> >>>>> From the output files the bug appears to be something real in the >>>>> current web version of the mixer, as I cannot see anything >>>>> catastrophically >>>>> wrong in his output files. I am trying to track it down with Paresh, there >>>>> is at least one thing odd with the HPC system he is using (it does not >>>>> like >>>>> the includes in W2kutils.c) so might well be a system/compiler specific >>>>> issue. >>>>> >>>>> On Sat, Sep 24, 2016 at 9:11 AM, Lyudmila Dobysheva <lyuk...@mail.ru> >>>>> wrote: >>>>> >>>>>> 24.09.2016 00:31, Paresh Chandra Rout : >>>>>> >>>>>> I cannot find in your discussion some info: >>>>>> 1) does error repeat in sequential (not parallel) mode? >>>>>> 2) parallel over k-points (not mpi)? >>>>>> 3) it is when one k-point? what happens when several is taken? >>>>>> 4) put simply in terminal the task (not in a batch mode), what is >>>>>> written? >>>>>> 5) are all error files empty? >>>>>> >>>>>> To check all this, start with a fresh directory. >>>>>> >>>>>> Best wishes >>>>>> Lyudmila Dobysheva >>>>>> ------------------------------------------------------------------ >>>>>> Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. >>>>>> 426001 Izhevsk, ul.Kirova 132 >>>>>> RUSSIA >>>>>> ------------------------------------------------------------------ >>>>>> Tel.:7(3412) 432045(office), 722529(Fax) >>>>>> E-mail: l...@ftiudm.ru, lyuk...@mail.ru (office) >>>>>> lyuk...@gmail.com (home) >>>>>> Skype: lyuka17 (home), lyuka18 (office) >>>>>> https://urldefense.proofpoint.com/v2/url?u=http-3A__ftiudm.r >>>>>> u_content_view_25_103_lang-2Cenglish_&d=CwICAg&c=yHlS04HhBra >>>>>> es5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm >>>>>> 818jnvqKFdqWLwmqg0&m=UZ9UJ2muO05WogtKK391VP9HujH52wAZw4p4n-n >>>>>> xsQM&s=EzEsFdYDECiYJFzFAQ_jYYJcPV34Y-VdK_BBp4GCGVA&e= >>>>>> ------------------------------------------------------------------ >>>>>> _______________________________________________ >>>>>> Wien mailing list >>>>>> Wien@zeus.theochem.tuwien.ac.at >>>>>> https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.the >>>>>> ochem.tuwien.ac.at_mailman_listinfo_wien&d=CwICAg&c=yHlS04Hh >>>>>> Braes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8I >>>>>> Uxm818jnvqKFdqWLwmqg0&m=UZ9UJ2muO05WogtKK391VP9HujH52wAZw4p4 >>>>>> n-nxsQM&s=20wrj37VlDWXxNP2MVjPs4VZ8pLwNqbqEgfqJbvWAxI&e= >>>>>> SEARCH the MAILING-LIST at: https://urldefense.proofpoint. >>>>>> com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.the >>>>>> ochem.tuwien.ac.at_index.html&d=CwICAg&c=yHlS04HhBraes5BQ9ue >>>>>> u5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqK >>>>>> FdqWLwmqg0&m=UZ9UJ2muO05WogtKK391VP9HujH52wAZw4p4n-nxsQM&s=L >>>>>> n5jBr6t2pjIJJJRS5hcSNq7oA_F2N9xV3D6VdU_ng0&e= >>>>>> >>>>> >>>>> >>>>> >>>>> -- >>>>> Professor Laurence Marks >>>>> "Research is to see what everybody else has seen, and to think what >>>>> nobody else has thought", Albert Szent-Gyorgi >>>>> www.numis.northwestern.edu ; Corrosion in 4D: >>>>> MURI4D.numis.northwestern.edu >>>>> Partner of the CFW 100% program for gender equity, >>>>> www.cfw.org/100-percent >>>>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.cfw.org_100-2Dpercent&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=916XFexzKTpLqLf8YFxzTexXbwX1gWhUzzqn7frhDWs&s=JwQpYP9X0i5JW_h9vWl47DOC8m2eX16MDrWvWhR9w68&e=> >>>>> Co-Editor, Acta Cryst A >>>>> >>>>> _______________________________________________ >>>>> Wien mailing list >>>>> Wien@zeus.theochem.tuwien.ac.at >>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >>>>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=916XFexzKTpLqLf8YFxzTexXbwX1gWhUzzqn7frhDWs&s=8i9-PAI51z4Clv5JDRxllUY5AwO7LEVNxhRL-rTWT1Y&e=> >>>>> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wi >>>>> e...@zeus.theochem.tuwien.ac.at/index.html >>>>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=916XFexzKTpLqLf8YFxzTexXbwX1gWhUzzqn7frhDWs&s=nHgl5m58ERBH9dW9_cb29ipB4xwjNmWmVu9bnZHrvRo&e=> >>>>> >>>>> >>>> >>> >>> >>> -- >>> Professor Laurence Marks >>> "Research is to see what everybody else has seen, and to think what >>> nobody else has thought", Albert Szent-Gyorgi >>> www.numis.northwestern.edu ; Corrosion in 4D: >>> MURI4D.numis.northwestern.edu >>> Partner of the CFW 100% program for gender equity, >>> www.cfw.org/100-percent >>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.cfw.org_100-2Dpercent&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mFcz0Qh_SFt2-VQp-8PB9ZoR_lIQZc4m1W6glxBbbZQ&s=0yaSJAsKFrUuDduyHLVoLGD7OIh_MgYqj6ofqLIEhok&e=> >>> Co-Editor, Acta Cryst A >>> >>> _______________________________________________ >>> Wien mailing list >>> Wien@zeus.theochem.tuwien.ac.at >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mFcz0Qh_SFt2-VQp-8PB9ZoR_lIQZc4m1W6glxBbbZQ&s=6tfYOu44OA__i86YpB0z006H0d-PKpr665SWO6CkiCU&e=> >>> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wi >>> e...@zeus.theochem.tuwien.ac.at/index.html >>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mFcz0Qh_SFt2-VQp-8PB9ZoR_lIQZc4m1W6glxBbbZQ&s=Im1An09kruXBYMl3GzV3EI07b_QesRqEwf-mbcF0b5w&e=> >>> >>> >> > > > -- > Professor Laurence Marks > "Research is to see what everybody else has seen, and to think what nobody > else has thought", Albert Szent-Gyorgi > www.numis.northwestern.edu ; Corrosion in 4D: > MURI4D.numis.northwestern.edu > Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent > Co-Editor, Acta Cryst A > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > >
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
