Re: [Wien] possible bug in site_config for verion 17

2017-12-30 Thread Arthur H. Edwards
Gavin: Thanks very much. That worked. Now, I'm getting problems with fftw3 compilation that I will detail in a succeeding email. Thanks for your remarkably rapid response Art Edwards -- Arthur H. Edwards edwards...@fastmail.fm On Sat, Dec 30, 2017, at 2:47 AM, Gavin Abo wrote: > This

Re: [Wien] possible bug in site_config for verion 17

2017-12-30 Thread Gavin Abo
This seems to be because the names :FFTW_LIB and :FFTW_LIBNAME are too similar on lines 157 and 158 in siteconfig_lapw. So when you "grep :FFTW_LIB WIEN2k_OPTIONS", it gives lib and fftw3 from both of them: username@computername:~/WIEN2k$ grep :FFTW_LIB WIEN2k_OPTIONS | cut -d : -f 3- lib

[Wien] possible bug in site_config for verion 17

2017-12-30 Thread Arthur H. Edwards
I am attempting to compile Wien2k_17 on an amd linux machine with actual cores that include fpu's, and running ubuntu 16.04. I have compiled fftw3 and installed it in /usr/local/fftw_3.3.7/lib. I am setting the fftw parameters for compilation. I start with the following: FFTWROOT: