[Wien] possible bug in site_config for verion 17
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: /usr/local/fftw_3.3.7/ FFTW_VERSION: FFTW3 FFTW_LIB: lib FFTW_LIBNAME: fftw3 so that FFTW_LIBS:-L/usr/local/fftw_3.3.7/lib -lfftw3 The problem arises when I save these settings, two menus above. When I then return to the parallel options, I find that FFTW_LIB: has changed to FFTW-LIBS: -L/usr/local/fftw_3.3.7/lib fftw3 -lfftw3 Note that an additional fftw3 intervenes between the directory name and the -lfftw3. In fact, each time I save and return, another copy of fftw3 appears. This renders compilation of fftw3 impossible. I have had a slightly more than casual look at the siteconfig_lapw script, and I can't see where this is happening. As I am completely stymied at this point, any help would be greatly appreciated. Art Edwards -- Arthur H. Edwards edwards...@fastmail.fm ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] possible bug in site_config for verion 17
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 fftw3 Adding a colon after the :FFTW_LIB looks like it might fix that: username@computername:~/WIEN2k$ grep :FFTW_LIB: WIEN2k_OPTIONS | cut -d : -f 3- lib So try changing line 157 in siteconfig_lapw from: username@computername:~/WIEN2k$ sed -n 157p siteconfig_lapw set FFTW_LIB = `grep :FFTW_LIB $bin/WIEN2k_OPTIONS | cut -d : -f 3-` to set FFTW_LIB = `grep :FFTW_LIB: $bin/WIEN2k_OPTIONS | cut -d : -f 3-` On 12/30/2017 1:39 AM, Arthur H. Edwards wrote: I am attempting to compile Wien2k_17 on an amd linux machine with actual cores that include fpu's, and running ubuntu 16.04. I have compiled fftw3 and installed it in /usr/local/fftw_3.3.7/lib. I am setting the fftw parameters for compilation. I start with the following: FFTWROOT: /usr/local/fftw_3.3.7/ FFTW_VERSION: FFTW3 FFTW_LIB: lib FFTW_LIBNAME: fftw3 so that FFTW_LIBS:-L/usr/local/fftw_3.3.7/lib -lfftw3 The problem arises when I save these settings, two menus above. When I then return to the parallel options, I find that FFTW_LIB: has changed to FFTW-LIBS: -L/usr/local/fftw_3.3.7/lib fftw3 -lfftw3 Note that an additional fftw3 intervenes between the directory name and the -lfftw3. In fact, each time I save and return, another copy of fftw3 appears. This renders compilation of fftw3 impossible. I have had a slightly more than casual look at the siteconfig_lapw script, and I can't see where this is happening. As I am completely stymied at this point, any help would be greatly appreciated. Art Edwards ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] possible bug in site_config for verion 17
Gavin: Thanks very much. That worked. Now, I'm getting problems with fftw3 compilation that I will detail in a succeeding email. Thanks for your remarkably rapid response Art Edwards -- Arthur H. Edwards edwards...@fastmail.fm On Sat, Dec 30, 2017, at 2:47 AM, Gavin Abo wrote: > This seems to be because the names :FFTW_LIB and :FFTW_LIBNAME are too > similar on lines 157 and 158 in siteconfig_lapw.> So when you "grep :FFTW_LIB > WIEN2k_OPTIONS", it gives lib and fftw3 > from both of them:> > username@computername:~/WIEN2k$ grep :FFTW_LIB WIEN2k_OPTIONS | cut > -d : -f 3-> lib > fftw3 > > Adding a colon after the :FFTW_LIB looks like it might fix that: > > username@computername:~/WIEN2k$ grep :FFTW_LIB: WIEN2k_OPTIONS | cut > -d : -f 3-> lib > > So try changing line 157 in siteconfig_lapw from: > > username@computername:~/WIEN2k$ sed -n 157p siteconfig_lapw set > FFTW_LIB = `grep :FFTW_LIB $bin/WIEN2k_OPTIONS | cut -d : -f 3-` > > to> set FFTW_LIB = `grep :FFTW_LIB: $bin/WIEN2k_OPTIONS | cut -d : > -f 3-`> > > On 12/30/2017 1:39 AM, Arthur H. Edwards wrote: >> 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: /usr/local/fftw_3.3.7/ >> FFTW_VERSION: FFTW3 FFTW_LIB: lib FFTW_LIBNAME: >> fftw3 so that FFTW_LIBS:-L/usr/local/fftw_3.3.7/lib - >> lfftw3 The problem arises when I save these settings, two menus >> above. When I then return to the parallel options, I find that >> FFTW_LIB: has changed to FFTW-LIBS: - >> L/usr/local/fftw_3.3.7/lib fftw3 -lfftw3 Note that an additional >> fftw3 intervenes between the directory name and the -lfftw3. In fact, >> each time I save and return, another copy of fftw3 appears. This >> renders compilation of fftw3 impossible. I have had a slightly more >> than casual look at the siteconfig_lapw script, and I can't see where >> this is happening. As I am completely stymied at this point, any >> help would be greatly appreciated. Art Edwards >>> > _ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
