Re: [QE-users] Quantum Espresso installation problem-get Error from "make pw"

On 7/24/23 17:05, 胡大展 wrote: My version is gcc 4.8.5 very old, does not work for recent QE versions I got nothing in "BLAS_LIBS", figure_1. you got "-lblas", which is what you need Psolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze

Re: [QE-users] pw.x malloc failed

The input data you report contain several cases of bad syntax. Please provide an input file with correct syntax, the output file and a pointer to the pseudopotential files Paolo On 7/24/23 13:49, Aziz Ogutlu wrote: You don't often get email from aziz.ogu...@eduline.com.tr. Learn why

[QE-users] Quantum Espresso installation problem-get Error from "make pw"

Dear sir, My version is gcc 4.8.5, openmpi 1.10.2 and "Red Hat Enterprise Linux Server release 7.3 (Maipo)". I'm a newbie of terminal user and I'm trying to install QE on terminal that is linked to the supercomputer of Taiwan. I follow the step from the video on EPW school,

[QE-users] pw.x malloc failed

Hi there all, We're using Quantum Espresso 7.1 with Intel compiler 2022.3 on HPC system. When we call pw.x like below, we're getting an error: /mpirun pw.x -i < scf_step1.in/ ... /Atomic wfc used for Hubbard projectors are NOT orthogonalized// // //pw.x: malloc.c:4049: _int_malloc: Assertion

Re: [QE-users] Quantum Entanglement

OMG -- Stefano Baroni, Trieste -- swift message written and sent on the go Il giorno 24 lug 2023, alle ore 09:12, KRISHNENDU MUKHERJEE ha scritto:  Dear members, Does the correlation function take care of quantum entanglement of electron wave-functions ? Thank you, Regards, Krishnendu

[QE-users] Quantum Entanglement

Dear members, Does the correlation function take care of quantum entanglement of electron wave-functions ? Thank you, Regards, Krishnendu ___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the