[QE-users] Regarding upgradation of Quantum-esspresso.

[chethanv Research Scholar]

Yea now I have installed Quantum espresso 7.1 but when i try to do pw.x
calculation the code stops with the following message

[admin123-MS-7C37:159306] *** An error occurred in MPI_Comm_free
[admin123-MS-7C37:159306] *** reported by process [2278227969,2]
[admin123-MS-7C37:159306] *** on communicator MPI_COMM_WORLD
[admin123-MS-7C37:159306] *** MPI_ERR_COMM: invalid communicator
[admin123-MS-7C37:159306] *** MPI_ERRORS_ARE_FATAL (processes in this
communicator will now abort,
[admin123-MS-7C37:159306] ***    and potentially your MPI job)
[admin123-MS-7C37:159298] 2 more processes have sent help message
help-mpi-errors.txt / mpi_errors_are_fatal
[admin123-MS-7C37:159298] Set MCA parameter "orte_base_help_aggregate" to 0
to see all help / error messages


with best regards,
Chethan V
Research scholar
University of Mysore


On Fri, May 5, 2023 at 6:15 PM Giuseppe Mattioli <
giuseppe.mattioli at ism.cnr.it> wrote:

>
> Dear Chethan V
> Try to use the full path to QE 7.2 when you launch pw.x (or cp.x).
> Something similar to
>
> mpiexec -n 32 /opt/share/sw_inst/gcc-10.2.1/QE-7.2/bin/pw.x -in
> yourinput.in > youroutput.out
>
> HTH
> Giuseppe
>
>
>
> Quoting chethanv Research Scholar <chethanv at physics.uni-mysore.ac.in>:
>
> > Thank you for your suggestion. I have already tried installing qe7.2 but
> > even after installation the  program is running with qe 6.6 only so how
> to
> > resolve this issue.
> >
> >
> >
> > with best regards,
> > Chethan V
> > Research scholar
> > University of Mysore
> >
> > On Fri, May 5, 2023 at 4:21 PM Giuseppe Mattioli <
> > giuseppe.mattioli at ism.cnr.it> wrote:
> >
> >>
> >> Dear User (please sign always your posts to this forum with name and
> >> affiliation)
> >> There is no such thing as an "upgrade" of Quantum ESPRESSO. You can
> >> simply download and install QE 7.2.
> >> HTH
> >> Giuseppe
> >>
> >> Quoting chethanv Research Scholar <chethanv at physics.uni-mysore.ac.in>:
> >>
> >> > Respected sir,
> >> >  I am already using Quantum espresso 6.6 in my workstation. Now i
> want to
> >> > upgrade to the latest version i.e 7.2 but i dont no how to upgrade it.
> >>
> >>
> >>
> >> GIUSEPPE MATTIOLI
> >> CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
> >> Via Salaria Km 29,300 - C.P. 10
> >> I-00015 - Monterotondo Scalo (RM)
> >> Mob (*preferred*) +39 373 7305625
> >> Tel + 39 06 90672342 - Fax +39 06 90672316
> >> E-mail: <giuseppe.mattioli at ism.cnr.it>
> >>
> >> _______________________________________________
> >> The Quantum ESPRESSO community stands by the Ukrainian
> >> people and expresses its concerns about the devastating
> >> effects that the Russian military offensive has on their
> >> country and on the free and peaceful scientific, cultural,
> >> and economic cooperation amongst peoples
> >> _______________________________________________
> >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> >> users mailing list users at lists.quantum-espresso.org
> >> https://lists.quantum-espresso.org/mailman/listinfo/users
> >>
>
>
>
> GIUSEPPE MATTIOLI
> CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
> Via Salaria Km 29,300 - C.P. 10
> I-00015 - Monterotondo Scalo (RM)
> Mob (*preferred*) +39 373 7305625
> Tel + 39 06 90672342 - Fax +39 06 90672316
> E-mail: <giuseppe.mattioli at ism.cnr.it>
>
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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