Re: [QE-users] Quantum espresso installation problem in MAC

2019-11-27 Thread Mejia Rodriguez, Daniel
Hi Kanka, _stdio.h is a header file that comes with Xcode. You should try to update the headers with a command similar to cd /Library/Developer/CommandLineTools/Packages/ open macOS_SDK_headers_for_macOS_10.14.pkg (This will open an installation wizard). And then compile QE. Daniel Mejia

Re: [QE-users] Quantum espresso installation problem in MAC

2019-11-27 Thread Ye Luo
The error message indicates the gcc8.3 you have installed is not compatible with your OS. QE includes which is standard C. The stdio.h shipped by the compiler tries to access _stdio.h which doesn't exist in the system. So probably you can write a dummy C program with just include stdio.h and a

[QE-users] Improve convergence with noncollinear calculation

2019-11-27 Thread Christoph Wolf
Dear all, I am having some issues with the energy convergence of a noncollinear calculation to determine energy difference for different spin alignments. The expected energies are ~1...5 meV so energy convergence should be rather tight. However I find that with high degauss values I cannot reach

Re: [QE-users] Quantum espresso installation problem in MAC

2019-11-27 Thread Paolo Giannozzi
This is of course _not possible_ if you do things right. Unless you compiler is broken, of course On Wed, Nov 27, 2019 at 10:55 AM Kanka Ghosh wrote: > Dear Paolo, > > It's still showing the error in compiling ! > > > In file included from *stack.c:9*: > > >

Re: [QE-users] Quantum espresso installation problem in MAC

2019-11-27 Thread Kanka Ghosh
Dear Paolo, It's still showing the error in compiling ! In file included from stack.c:9 : /usr/local/lib/gcc/x86_64-apple-darwin18.5.0/8.3.0/include-fixed/stdio.h:78:10: fatal error: _stdio.h: No such file or directory #include <_stdio.h> ^~ compilation terminated.

Re: [QE-users] Quantum espresso installation problem in MAC

2019-11-27 Thread Kanka Ghosh
Hi Will, This is the MAC.inc file. PFA Regards, Kanka De: "Will DeBenedetti" À: "users" Envoyé: Mardi 26 Novembre 2019 17:31:31 Objet: Re: [QE-users] Quantum espresso installation problem in MAC Hi Kanka, I have had the best luck compiling and linking libraries using the Intel