Hello Pietro and Paolo, Yes, it worked fine. Thank you for your quick response.
Thanks, Hari Paudyal SUNY-Binghamton On Fri, Mar 22, 2019 at 12:16 PM Pietro Davide Delugas <pdelu...@sissa.it> wrote: > Hello > could you try the attached patch ? > > copy the file in the q-e topdir and type > > patch -p1 --merge < patch_old_intel > > in case you wanted to undo the patch > > patch -R -p1 --merge < patch_old_intel > > please let me know if it works > regards Pietro > > On 03/22/2019 04:56 PM, Paolo Giannozzi wrote: > > Some versions of the intel compiler miscompile the recently modified XML > code. A patch will be released soon. Your make.inc is perfectly fine > > Paolo > > > On Fri, Mar 22, 2019 at 4:42 PM Hari Paudyal <hpaud...@binghamton.edu> > wrote: > >> Dear experts, >> >> After the successful installation of qe-v6.4, pw.x gives segmentation >> fault after when it prints the first few lines as; >> >> Parallel version (MPI), running on 1 processors >> >> MPI processes distributed on 1 nodes >> Waiting for input... >> Reading input from standard input >> >> Current dimensions of program PWSCF are: >> Max number of different atomic species (ntypx) = 10 >> Max number of k-points (npk) = 40000 >> Max angular momentum in pseudopotentials (lmaxx) = 3 >> forrtl: severe (174): SIGSEGV, segmentation fault occurred >> >> I had no problem compiling/running all the previous versions (even some >> of the development versions I have installed on 15Oct2018, 20Jan2019). >> Since I am not an expert, I do not know what has been changed in the >> process of installation in this new released version v6.4, but I am pretty >> sure that nothing has been changed in my cluster regarding >> compilers/libraries. For info, I am using intel/composer_xe_2013.1.117. >> >> Further, If I look more carefully to the make.inc files generated after >> ./configure between qe-v6.3 and qe-v6.4, I found the following differences; >> >> # TOPDIR = /home/hari/qe-6.3 >> DFLAGS = -D__FFTW -D__MPI >> LIBS = $(CUDA_LIBS) $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FOX_LIB) >> $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(HDF5_LIB) $(LD_LIBS) >> # Install directory - not currently used >> >> # TOPDIR = /home/hari/qe-6.4 >> DFLAGS = -D__DFTI -D__MPI >> LIBXC_LIBS = >> QELIBS = $(CUDA_LIBS) $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FOX_LIB) >> $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(HDF5_LIB) $(LIBXC_LIBS) >> $(LD_LIBS) >> # Install directory - "make install" copies *.x executables there >> >> If I have understood correctly, the problem is due to the MPI library. >> Also, the pw_user_guide says "MPI libraries need to be properly configured" >> (pw_user_guide-v6.4_page_20). But, why the previous versions work fine and >> the problem occurred only on this new released version v6.4? How this can >> be solved? >> >> I will be happy to see any comments/suggestions from experts. >> >> Thank you, >> Hari Paudyal >> SUNY-Binghamton >> >> >> _______________________________________________ >> users mailing list >> users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > _______________________________________________ > users mailing > listusers@lists.quantum-espresso.orghttps://lists.quantum-espresso.org/mailman/listinfo/users > > > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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