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
_______________________________________________ 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
