now it says error: option --compiler not recognized
On Thu, Apr 23, 2015 at 11:57 PM, ganesh sivaraman <[email protected]> wrote: > Hi Nick, > > Its just my desktop. But we have this HTC condor installed in our > institute which makes it common libraries for all. A kind of weirdo system > . > > So what i usually do is to like manually with the FC , CXX > ...LD_LIBRARTH_PATH...etc .manually ....we do have an intel compiler > installation. But in my case i have not linked it as far as i understand. > But i will try out your suggestion > > In any case thank you very much for taking a lot of your time and helping > me out . Lets hope for the best. I owe you a bear next time we meet ;) > > On Thu, Apr 23, 2015 at 11:15 PM, Nick Papior Andersen < > [email protected]> wrote: > >> I guess you are mixing intel compiled stuff with gnu compiled stuff. >> Do you have intel compiled numpy/python? It sure seems like it as >> libimf.so is a library from the intel compiler suite. >> Do you have a module to load intel, or do you manually source the intel >> file when needing the intel compiler? >> >> Do not mix compilers etc. >> >> You should be able to do this instead, provided that you have sourced the >> intel variable file. >> python setup.py clean >> python setup.py install --compiler=intelem --fcompiler=intelem >> --prefix=~/.local >> (do not call build, it should be performed automatically). >> >> >> 2015-04-23 23:05 GMT+02:00 ganesh sivaraman <[email protected]>: >> >>> I see...there are some contradictions . >>> >>> >>> gcc version 4.8.1 20130909 [ >>> >>> >>> >>> ldd /home/ganesh/.local/lib/python2.7/site-packages/ >>> Inelastica/F90helpers.so >>> >>> linux-vdso.so.1 (0x00007ffe4939e000) >>> >>> libpython2.7.so.1.0 => /usr/lib64/libpython2.7.so.1.0 >>> (0x00002b36f3ff6000) >>> >>> libifport.so.5 => not found >>> >>> libifcore.so.5 => not found >>> >>> libimf.so => not found >>> >>> libsvml.so => not found >>> >>> libm.so.6 => /lib64/libm.so.6 (0x00002b36f43a5000) >>> >>> libintlc.so.5 => not found >>> >>> libpthread.so.0 => /lib64/libpthread.so.0 (0x00002b36f46a8000) >>> >>> libc.so.6 => /lib64/libc.so.6 (0x00002b36f48c6000) >>> >>> libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00002b36f4c74000) >>> >>> libdl.so.2 => /lib64/libdl.so.2 (0x00002b36f4e8b000) >>> >>> libutil.so.1 => /lib64/libutil.so.1 (0x00002b36f508f000) >>> >>> /lib64/ld-linux-x86-64.so.2 (0x00002b36f3bb9000) >>> >>> >>> >>> On Thu, Apr 23, 2015 at 10:59 PM, Nick Papior Andersen < >>> [email protected]> wrote: >>> >>>> Please supply this: >>>> gcc --version >>>> gfortran --version >>>> >>>> And >>>> >>>> ldd >>>> /home/ganesh/.local/lib/python2.7/site-packages/Inelastica/F90helpers.so >>>> >>>> >>>> 2015-04-23 22:43 GMT+02:00 ganesh sivaraman <[email protected]>: >>>> >>>>> Hi Nick, >>>>> >>>>> Please find the attachment for the same . I have included both >>>>> building and install . >>>>> >>>>> On Thu, Apr 23, 2015 at 10:25 PM, Nick Papior Andersen < >>>>> [email protected]> wrote: >>>>> >>>>>> There should be another error message associated with the python >>>>>> installation. >>>>>> Please provide that. >>>>>> >>>>>> I.e. try and reinstall inelastica, but pipe the output (plus stderr) >>>>>> to a file and send that file. >>>>>> >>>>>> To pipe stderr to stdout do: >>>>>> python setup.py install 2>&1 > debug.out >>>>>> >>>>>> >>>>>> >>>>>> 2015-04-23 22:18 GMT+02:00 ganesh sivaraman <[email protected]>: >>>>>> >>>>>>> Hi, >>>>>>> >>>>>>> I have this strange error . I don't quiet understand it . Isee that >>>>>>> new pyTBT has pdos capability. But when i changed to the latest >>>>>>> snapshot >>>>>>> of inelastic i have started to get the following error. >>>>>>> >>>>>>> Problems encountered with F90helpers.so >>>>>>> >>>>>>> Falling back on a pure python (slower) implementation >>>>>>> >>>>>>> Try compiling manually following these steps: >>>>>>> >>>>>>> $ cd Inelastica/package/F90 >>>>>>> >>>>>>> $ source compile.bat (or compile_alternative.bat) >>>>>>> >>>>>>> $ cp F90helpers.so <python>/site-packages/Inelastica/ >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> I went to this folder and completed this procedure and placed the >>>>>>> two files in right path and sourced then. still it does not go away . >>>>>>> Plus >>>>>>> i have lapack and boas routines that compiled well for siesta . This is >>>>>>> rather weird. >>>>>>> >>>>>>> Any hints ? >>>>>>> >>>>>>> >>>>>>> >>>>>>> On Wed, Apr 22, 2015 at 10:51 PM, ganesh sivaraman < >>>>>>> [email protected]> wrote: >>>>>>> >>>>>>>> Thanks all. I will try >>>>>>>> >>>>>>>> On Tue, Apr 21, 2015 at 8:54 PM, Magnus Paulsson < >>>>>>>> [email protected]> wrote: >>>>>>>> >>>>>>>>> Try: >>>>>>>>> pyTBT —help >>>>>>>>> >>>>>>>>> (SVN-version of Inelastica) >>>>>>>>> >>>>>>>>> This is the python version of tbtrans. Thomas has added a lot of >>>>>>>>> PDOS calculations and the output files should >>>>>>>>> be directly readable by xmgrace. I haven’t looked at PDOS myself >>>>>>>>> so I don’t remember the details. >>>>>>>>> >>>>>>>>> -Magnus >>>>>>>>> >>>>>>>>> ----------------------------------------------- >>>>>>>>> Magnus Paulsson >>>>>>>>> Assistant Professor >>>>>>>>> Dept. of Physics and Electrical Engineering >>>>>>>>> Linnaeus University >>>>>>>>> Phone: +46-480-446308 >>>>>>>>> Mobile: +46-70-6942987 >>>>>>>>> >>>>>>>>> On 21 Apr 2015, at 18:46, ganesh sivaraman <[email protected]> >>>>>>>>> wrote: >>>>>>>>> >>>>>>>>> Hi Nick , >>>>>>>>> >>>>>>>>> I am quiet familiar with EIgenchannels tools and --help for that >>>>>>>>> was always helpful . Inelastica does say its for IETS. There are some >>>>>>>>> flags >>>>>>>>> similar to eingenchannels , when i tried the --help for inelastic . >>>>>>>>> But i >>>>>>>>> was not quiet sure about outputs. Its rather confusing unlike >>>>>>>>> eigenchannels . >>>>>>>>> >>>>>>>>> Even some publications using this would have been very helpful >>>>>>>>> . Please let me know >>>>>>>>> >>>>>>>>> >>>>>>>>> On Tue, Apr 21, 2015 at 11:16 AM, Nick Papior Andersen < >>>>>>>>> [email protected]> wrote: >>>>>>>>> >>>>>>>>>> Have you tried using the --help flag on the commands in >>>>>>>>>> Inelastica? >>>>>>>>>> They are actually pretty helpful. >>>>>>>>>> >>>>>>>>>> 2015-04-21 9:40 GMT+02:00 ganesh sivaraman <[email protected] >>>>>>>>>> >: >>>>>>>>>> >>>>>>>>>>> Hi, >>>>>>>>>>> >>>>>>>>>>> I saw that Inelastica has the capability of give PDOS . Does >>>>>>>>>>> any one have experience how to do this ? >>>>>>>>>>> >>>>>>>>>>> T&R, >>>>>>>>>>> >>>>>>>>>>> Ganesh Sivaraman >>>>>>>>>>> >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> -- >>>>>>>>>> Kind regards Nick >>>>>>>>>> >>>>>>>>> >>>>>>>>> >>>>>>>>> >>>>>>>> >>>>>>> >>>>>> >>>>>> >>>>>> -- >>>>>> Kind regards Nick >>>>>> >>>>> >>>>> >>>> >>>> >>>> -- >>>> Kind regards Nick >>>> >>> >>> >> >> >> -- >> Kind regards Nick >> > >
