Re: [Wien] Please help with wannier90 error?

2016-07-04 Thread Elias Assmann
Dear Yukio Watanabe, I am taking this to the Wien2k mailing list for the benefit of other users. On 07/03/2016 08:27 AM, Yukio Watanabe wrote: > After the standard scf, I could go to "write_inwplot" without error > messages. In the next step, I encountered the following error: > > [we@localhos

Re: [Wien] Error in wien2wannier for spin orbit coupling case

2016-07-04 Thread Elias Assmann
Dear Niraj, On 07/02/2016 02:57 AM, Niraj Aryal wrote: > Thank you Elias. The newer version of w2w ran without giving any > errors for test case. I will do more tests and let you know. Good to hear, and thank you for reporting the compilation error. > For this, I used the executables from the ol

Re: [Wien] problem with parralel execution

2016-07-04 Thread Peter Blaha
The error is in lapw0. This points to a problem with the fftw3 mpi-installation. On 07/01/2016 08:56 AM, remi marchal wrote: Dear Wien-Users, I have compiled successfully (at least without any error during the compilation) WIEN2K_14 with openmpi-1.10, intel16 with mkl support and gcc on Linux