Re: [QE-users] Segmentation fault when using ph.x, MacOSX

2020-12-13 Thread Nicola Marzari
You could also try and run it from inside the Quantum Mobile - that's an ubuntu virtual machine that you can load on your Max: https://quantum-mobile.readthedocs.io/en/latest/index.html                 nicola On 13/12/2020 12:06, Paolo Giannozzi wrote: If it crashes when function "zdotc"

Re: [QE-users] Segmentation fault when using ph.x, MacOSX

2020-12-13 Thread Paolo Giannozzi
If it crashes when function "zdotc" is called, it is the usual problem with complex functions, explained in the user guide. The only real solution is to replace all calls to zdotc with an equivalent call to fortran intrinsic dot_product. Paolo On Sun, Dec 13, 2020 at 1:40 AM Сергей Клявинек

[QE-users] Segmentation fault when using ph.x, MacOSX

2020-12-12 Thread Сергей Клявинек
Hello everyone! I ran into a problem - I can't use ph.x package. When I try to run the script, I get a segmentation fault, regardless of the folder I am trying to save the output to. I ran the calculations using this manual: http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/handson_phon.html