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 >
