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
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