Hi Lorenzo, the patch will be made available but will not go into the development branch: there is nothing wrong with the code, it's a problem of some old-ish compilers.
Paolo On Sun, Mar 24, 2019 at 3:26 PM Lorenzo Paulatto <[email protected]> wrote: > Hello Pietro, > Is this patch already in the git developer branch? Because I am getting a > similar segfault on Bluegene with xlf, and I would like to test if the > patch fixes it. Cheers > > -- > Lorenzo Paulatto > Written on a virtual keyboard with real fingers > > On Fri, 22 Mar 2019, 17:16 Pietro Davide Delugas, <[email protected]> > 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 <[email protected]> >> 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 >>> [email protected] >>> 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 >> [email protected]https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > [email protected] > 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
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