Dear Mr. Lu, Thanks for the help, this solves the serial running problem, although it does not solve the parallel executing one.
Atenciosamente Luiz Felipe Pompermaier ________________________________ De: users <[email protected]> em nome de [email protected] <[email protected]> Enviado: segunda-feira, 16 de outubro de 2023 10:28 Para: Quantum ESPRESSO users Forum <[email protected]> Assunto: Re: [QE-users] pw.x does not recognize pseudopotential file Dear Mr. Pompermaier: Try to use absolute path instead of relative path? Best Regards, HY Lu 在 2023年10月16日 星期一 下午09:24:15 [GMT+8]， Luiz Felipe<[email protected]> 寫道： Dear qe community, Recently, after much trouble, I managed to install qe 7.2 on Debian 11.7 OS. I have already run the standard tests on the test-suite and except for a few epw modules, all passed. Now I'm running another test on the pw.x module trying to get some known values for Si crystal¹. The problem I'm facing, both with mpi and without, is that the pw.x module cannot find the pseudopotential file, although it is rightly indexed in the respective folder. What can I do to fix this mistake? I have also annexed the .in and .out files, and a print screen of the command terminal and the pseudopotential folder. ¹ The tutorial I am following for Si calculations is the one presented by Quantum Nerd on the video https://www.youtube.com/watch?v=v1LcTLSIkZI [https://www.bing.com/th?id=OVP.NNc7iT_va7E2Q4Hity1Q9QEsDh&pid=Api]<https://www.youtube.com/watch?v=v1LcTLSIkZI> Project: 3.1 Si crystal constant and density | Quantum Espresso Tutorial 2019<https://www.youtube.com/watch?v=v1LcTLSIkZI> You can find the input file and reference output file in: https://github.com/quantumNerd/Quantum-Espresso-Tutorial-2019-Projects www.youtube.com Thankfully Luiz Felipe Pompermaier _______________________________________________ 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]<mailto:[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
