Hi Filippo, Please help in the below mentioned issue.
"--------- Forwarded From: Nisha Agrawal <[email protected]> Date: Tue, Oct 21, 2014 at 8:37 PM Subject: Re: [Pw_forum] Issue while executing QE-5.0 GPU To: PWSCF Forum <[email protected]> Hi Filippo, As per your suggestion I ran the not-accelerated version of QE for same input data , it worked well for me. Following is the contents of make.sys file, used for QE GPU compilation. Please let me know what are the other details required to help me in this issue. ################################################################################################# MANUAL_DFLAGS = -D__ISO_C_BINDING -D__DISABLE_CUDA_NEWD -D__DISABLE_CUDA_ADDUSDENS DFLAGS = -D__INTEL -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK -D__CUDA -D__PHIGEMM -D__OPENMP $(MANUAL_DFLAGS) FDFLAGS = $(DFLAGS) # IFLAGS = how to locate directories where files to be included are # In most cases, IFLAGS = -I../include IFLAGS = -I../include -I/opt/app/espresso-5.0.2-gpu-14.03/espresso-5.0.2/GPU/..//phiGEMM/include -I/opt/CUDA-5.5/include # MOD_FLAGS = flag used by f90 compiler to locate modules # Each Makefile defines the list of needed modules in MODFLAGS MOD_FLAG = -I # Compilers: fortran-90, fortran-77, C # If a parallel compilation is desired, MPIF90 should be a fortran-90 # compiler that produces executables for parallel execution using MPI # (such as for instance mpif90, mpf90, mpxlf90,...); # otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...) # If you have a parallel machine but no suitable candidate for MPIF90, # try to specify the directory containing "mpif.h" in IFLAGS # and to specify the location of MPI libraries in MPI_LIBS MPIF90 = mpiifort #F90 = ifort CC = mpiicc F77 = mpiifort # C preprocessor and preprocessing flags - for explicit preprocessing, # if needed (see the compilation rules above) # preprocessing flags must include DFLAGS and IFLAGS CPP = cpp CPPFLAGS = -P -traditional $(DFLAGS) $(IFLAGS) # compiler flags: C, F90, F77 # C flags must include DFLAGS and IFLAGS # F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax CFLAGS = -DMKL_ILP64 -O3 $(DFLAGS) $(IFLAGS) F90FLAGS = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS) FFLAGS = -i8 -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 # compiler flags without optimization for fortran-77 # the latter is NEEDED to properly compile dlamch.f, used by lapack FFLAGS_NOOPT = -i8 -O0 -assume byterecl -g -traceback # compiler flag needed by some compilers when the main is not fortran # Currently used for Yambo FFLAGS_NOMAIN = -nofor_main # Linker, linker-specific flags (if any) # Typically LD coincides with F90 or MPIF90, LD_LIBS is empty LD = mpiifort LDFLAGS = -ilp64 LD_LIBS = -L/opt/CUDA-5.5/lib64 -lcublas -lcufft -lcudart # External Libraries (if any) : blas, lapack, fft, MPI # If you have nothing better, use the local copy : # BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a # BLAS_LIBS_SWITCH = internal BLAS_LIBS = /opt/app/espresso-5.0.2-gpu-14.03/espresso-5.0.2/GPU/..//phiGEMM/lib/libphigemm.a -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm BLAS_LIBS_SWITCH = external # If you have nothing better, use the local copy : # LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a # LAPACK_LIBS_SWITCH = internal # For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! # remember that LAPACK_LIBS precedes BLAS_LIBS in loading order # CBLAS is used in case the C interface for BLAS is missing (i.e. ACML) CBLAS_ENABLED = 0 LAPACK_LIBS = LAPACK_LIBS_SWITCH = external ELPA_LIBS_SWITCH = disabled SCALAPACK_LIBS = -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 # nothing needed here if the the internal copy of FFTW is compiled # (needs -D__FFTW in DFLAGS) FFT_LIBS = -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 # For parallel execution, the correct path to MPI libraries must # be specified in MPI_LIBS (except for IBM if you use mpxlf) MPI_LIBS = # IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS MASS_LIBS = # ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv AR = ar ARFLAGS = ruv # ranlib command. If ranlib is not needed (it isn't in most cases) use # RANLIB = echo RANLIB = ranlib # all internal and external libraries - do not modify FLIB_TARGETS = all # CUDA section NVCC = /opt/CUDA-5.5/bin/nvcc NVCCFLAGS = -O3 -gencode arch=compute_20,code=sm_20 -gencode arch=compute_20,code=sm_21 PHIGEMM_INTERNAL = 1 PHIGEMM_SYMBOLS = 1 MAGMA_INTERNAL = 0 LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS) # wget or curl - useful to download from network WGET = wget -O ################################################################################################## "Apologizing does not mean that you are wrong and the other one is right... It simply means that you value the relationship much more than your ego.." On Tue, Oct 21, 2014 at 2:32 AM, Filippo Spiga <[email protected]> wrote: > Dear Nisha, > > the error as it is reported in your email does not give much details > honestly. Make sure --with-gpu-arch=sm_20 for your GPU. > > If it runs properly for small system on your machine but it dies for big > systems then check the normal not-accelerated version of QE can run. If it > runs and the problem appears only when GPU is turned on then we can try to > investigate further. > > HTH > F > > On Oct 17, 2014, at 5:27 AM, Nisha Agrawal <[email protected]> > wrote > > > Hi, > > > > > > I installed Quantam Espresso GPU v14.03.0, Intel compilers 13.0 and > Intel MKL 11.0. We have NVIDIA GPU M2090 cards. The issue which I am facing > is, for small input data it runs well, while > > for big input data it got terminated with the following error. Did I > missed any compilation flag? > > Does the Quantam Espresso GPU v14.03.0 works well with INtel compiler. > Please help > > > > forrtl: severe (174): SIGSEGV, segmentation fault occurred > > Image PC Routine Line > Source > > libmkl_avx.so 00002AB729DF919A Unknown Unknown > Unknown > > forrtl: severe (174): SIGSEGV, segmentation fault occurred > > Image PC Routine Line > Source > > libmkl_avx.so 00002B3B05DF919A Unknown Unknown > Unknown > > forrtl: severe (174): SIGSEGV, segmentation fault occurred > > Image PC Routine Line > Source > > libmkl_avx.so 00002B5549DF919A Unknown Unknown > Unknown > > > > _______________________________________________ > > Pw_forum mailing list > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > -- > Mr. Filippo SPIGA, M.Sc. > http://filippospiga.info ~ skype: filippo.spiga > > «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert > > ***** > Disclaimer: "Please note this message and any attachments are CONFIDENTIAL > and may be privileged or otherwise protected from disclosure. The contents > are not to be disclosed to anyone other than the addressee. Unauthorized > recipients are requested to preserve this confidentiality and to advise the > sender immediately of any error in transmission." > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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