Dear Wenusara Check quantum espresso input file description page for PW.x calculations to restart the calculations where it stopped. If you are impatient then use restart_mode = 'restart' instead of default string 'scratch'. Regards Ramesh Assistant Professor GITAM University India
On Sun, Aug 18, 2024, 8:25 AM wenusaras <[email protected]> wrote: > > Dear QE Users, > > I've been experiencing system shutdowns due to building maintenance, > which often interrupts long-running SCF calculations. My calculations > can take several days to complete, making these interruptions quite > disruptive. > > I'm reaching out to inquire about the possibility of restarting these > calculations from the point of interruption. > Could you please suggest appropriate restart commands or procedures to > pick up where I left off? > > Any guidance you can provide would be greatly appreciated. > > -- > Thank You > Wenusara Satheekshana > Graduate Researcher, University of Moratuwa, Sri Lanka. > _______________________________________________ > 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
