This is not a code error but a system error. System errors often
depend on memory shortage, but it is impossible to help you if you
don't provide information about your calculation (input/relevant part
of the output/available resources/ ...).
HTH
Giuseppe
Quoting chethanv Research Scholar <[email protected]>:
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 <
[email protected]> 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 <[email protected]>:
> 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 <
> [email protected]> 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 <[email protected]>:
>>
>> > 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: <[email protected]>
>>
>> _______________________________________________
>> 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 [email protected]
>> 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: <[email protected]>
_______________________________________________
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 [email protected]
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: <[email protected]>
_______________________________________________
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 [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
