This is in addition to my previous mail. QE-6.6 is recognising hdf5 lib but qe-6.5 does not.
On Fri, Nov 20, 2020 at 11:06 AM rekha sharma <rekha1997...@gmail.com> wrote: > Dear Sir > I have recompiled the hdf5 with --enable-fortran > the bin dir is having h5cc and when I execute"h5cc -show myprog.c", it > prints > > mpiicc myprog.c -L/home/rekha/soft/hdf5/lib > /home/rekha/soft/hdf5/lib/libhdf5_hl.a /home/rekha/soft/hdf5/lib/libhdf5.a > -lz -ldl -lm -Wl,-rpath -Wl,/home/rekha/soft/hdf5/lib > > but still I do not see any hdf5 flag in my quantum espresso make.sys file. > > Can I update make.sys manually? but then how do I know that QE would be > compiled with hdf5? > > Thank you very much > Rekha > > > On Thu, Nov 19, 2020 at 3:36 AM rekha sharma <rekha1997...@gmail.com> > wrote: > >> Dear Sir >> I do not see any -D__HDF5 in my make.inc >> Yes, I have the directory >> /home/rekha/soft/hdf5/bin >> and in the bin dir I have >> gif2h5 h52gif h5cc h5clear h5copy h5debug h5diff h5dump >> h5format_convert h5import h5jam h5ls h5mkgrp h5perf_serial >> h5redeploy h5repack h5repart h5stat h5unjam h5watch >> I have defined the path of hdf5 in bashrc >> export PATH=/home/rekha/soft/hdf5/bin:$PATH >> >> h5fc –show is not working. >> >> What should I do? >> >> >> >> On Wed, Nov 18, 2020 at 11:01 PM rekha sharma <rekha1997...@gmail.com> >> wrote: >> >>> Dear Sir >>> Thank you very much. >>> Still I do not see any changes in my make.inc file. >>> >>> I see below only >>> DFLAGS = -D__DFTI -D__MPI >>> How can I know that the QE has been compiled with hdf5 or not? >>> Thank you >>> >>> On Wed, Nov 18, 2020 at 10:12 PM rekha sharma <rekha1997...@gmail.com> >>> wrote: >>> >>>> Dear Expert Quantum Espresso Users >>>> I wanted to compile QE version 6.5 with hdf5 but I do not see any hdf >>>> option make.inc after ./configure option with below options >>>> --with-hdf5-libs=-L/home/rekha/soft/hdf5/lib >>>> --with-hdf5-include=/home/rekha/soft/hdf5/include >>>> >>>> Can you please tell me how to install qe-6.5 with hdf5? >>>> >>>> Thank you very much >>>> >>>> -- >>>> >>>> >>>> >>>> >>>> Best wishes >>>> >>>> Ms. Rekha >>>> Teaching Assistant, >>>> Department of Physics >>>> RK college, Jaipur, India >>>> Mob.: +11 91-95 790 71 697 >>>> Email: rekha1997...@gmail.com >>>> >>> >>> >>> -- >>> >>> >>> >>> >>> Best wishes >>> >>> Ms. Rekha >>> Teaching Assistant, >>> Department of Physics >>> RK college, Jaipur, India >>> Mob.: +11 91-95 790 71 697 >>> Email: rekha1997...@gmail.com >>> >> >> >> -- >> >> >> >> >> Best wishes >> >> Ms. Rekha >> Teaching Assistant, >> Department of Physics >> RK college, Jaipur, India >> Mob.: +11 91-95 790 71 697 >> Email: rekha1997...@gmail.com >> > > > -- > > > > > Best wishes > > Ms. Rekha > Teaching Assistant, > Department of Physics > RK college, Jaipur, India > Mob.: +11 91-95 790 71 697 > Email: rekha1997...@gmail.com > -- Best wishes Ms. Rekha Teaching Assistant, Department of Physics RK college, Jaipur, India Mob.: +11 91-95 790 71 697 Email: rekha1997...@gmail.com
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
